1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5,8-dihydroxy-2-[2-(4-methoxyphenyl)ethyl]chromen-4-one

2.1.2 InChI

InChI=1S/C18H16O5/c1-22-12-5-2-11(3-6-12)4-7-13-10-16(21)17-14(19)8-9-15(20)18(17)23-13/h2-3,5-6,8-10,19-20H,4,7H2,1H3

2.1.3 InChI Key

PCLFEHAPITXKJL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC=C(C=C1)CCC2=CC(=O)C3=C(C=CC(=C3O2)O)O

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Dpmc

2.2.2 Depositor-Supplied Synonyms

1. 128922-70-3

2. 5,8-dihydroxy-2-[2-(4-methoxyphenyl)ethyl]chromen-4-one

3. Dpmc

4. 5,8-dihydroxy-2-(4-methoxyphenethyl)-4h-chromen-4-one

5. Schembl16983578

6. Dtxsid30156004

7. 5,8-dihydroxy-2-(2-(4-methoxyphenyl)ethyl)-4h-1-benzopyran-4-one

8. 5,8-dihydroxy-2-[2-(4'-methoxyphenyl) Ethyl]chromone

9. 4h-1-benzopyran-4-one, 5,8-dihydroxy-2-(2-(4-methoxyphenyl)ethyl)-

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₁₆O₅
Molecular Weight	312.3 g/mol
XLogP3	3.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	312.09977361 g/mol
Monoisotopic Mass	312.09977361 g/mol
Topological Polar Surface Area	76 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	452
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Phospholipon Mc