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CAS 68684-63-9
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

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
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