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Also known as: 68684-63-9, Cid 63063, 4-[1,2-diphenylbut-1-enyl]phenol, Lczc1435, Schembl5354177, Dtxsid701294588
Molecular Formula
C22H20O
Molecular Weight
300.4  g/mol
InChI Key
YJVFSITVRZYTHO-UHFFFAOYSA-N

CAS 68684-63-9
1 2D Structure

CAS 68684-63-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-(1,2-diphenylbut-1-enyl)phenol
2.1.2 InChI
InChI=1S/C22H20O/c1-2-21(17-9-5-3-6-10-17)22(18-11-7-4-8-12-18)19-13-15-20(23)16-14-19/h3-16,23H,2H2,1H3
2.1.3 InChI Key
YJVFSITVRZYTHO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)O)C3=CC=CC=C3
2.2 Synonyms
2.2.1 MeSH Synonyms

1. 1,2-diphenyl-1-(4-hydroxyphenyl)but-1-ene

2. 1-(4-hydroxyphenyl)-1,2-diphenyl-1-butene

3. 1-(4-hydroxyphenyl)-1,2-diphenylbut-1-ene

4. 1-hpdpb

5. Tamoxifen Metabolite E

2.2.2 Depositor-Supplied Synonyms

1. 68684-63-9

2. Cid 63063

3. 4-[1,2-diphenylbut-1-enyl]phenol

4. Lczc1435

5. Schembl5354177

6. Dtxsid701294588

7. 4-(1,2-diphenyl-1-buten-1-yl)phenol

8. (z)-4-(1,2-diphenylbut-1-en-1-yl)phenol

9. (ez)-1-(4-hydroxyphenyl)-1,2-diphenylbut-1-ene

2.3 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 300.4 g/mol
Molecular Formula C22H20O
XLogP36.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass300.151415257 g/mol
Monoisotopic Mass300.151415257 g/mol
Topological Polar Surface Area20.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity377
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently Bonded Unit Count1

BUILDING BLOCK

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SUPPLIERS

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01

Aus. Peptide Conference
Not Confirmed
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Aus. Peptide Conference
Not Confirmed

1-(4-hydroxyphenyl)-1,2-diphenyl-1-butene

CAS Number : 68684-63-9

End Use API :

About the Company : Delta Finochem Pvt Ltd. is a privately owned and professionally managed company, accredited by WHO-GMP & ISO 9001:2015 (Year of establishment 1994) Delta Finochem is a leading manufactu...

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END USE APIs

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