2-[2-(3-hydroxy-4-methoxyphenyl)ethyl]chromen-4-one

C18H16O4 — CID 162852587

IUPAC2-[2-(3-hydroxy-4-methoxyphenyl)ethyl]chromen-4-one
SMILESCOc1ccc(CCc2cc(=O)c3ccccc3o2)cc1O
InChIInChI=1S/C18H16O4/c1-21-18-9-7-12(10-16(18)20)6-8-13-11-15(19)14-4-2-3-5-17(14)22-13/h2-5,7,9-11,20H,6,8H2,1H3
InChIKeyAGNSVSKRSIBBKN-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.29
Rot. Bonds4

About 2-[2-(3-hydroxy-4-methoxyphenyl)ethyl]chromen-4-one

2-[2-(3-hydroxy-4-methoxyphenyl)ethyl]chromen-4-one (PubChem CID 162852587) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-[2-(3-hydroxy-4-methoxyphenyl)ethyl]chromen-4-one.

Molecular Properties

Compound Name2-[2-(3-hydroxy-4-methoxyphenyl)ethyl]chromen-4-one
PubChem CID162852587
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name2-[2-(3-hydroxy-4-methoxyphenyl)ethyl]chromen-4-one
SMILESCOc1ccc(CCc2cc(=O)c3ccccc3o2)cc1O
InChIInChI=1S/C18H16O4/c1-21-18-9-7-12(10-16(18)20)6-8-13-11-15(19)14-4-2-3-5-17(14)22-13/h2-5,7,9-11,20H,6,8H2,1H3
InChIKeyAGNSVSKRSIBBKN-UHFFFAOYSA-N
XLogP3.29
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-hydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]chromen-4-one
CID 162857287
5,7-dihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]chromen-4-one
CID 146036318
5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol
CID 57066187
7-hydroxy-2-(2-phenylethyl)chromen-4-one
CID 10890802
2-(hydroxymethyl)chromen-4-one
CID 12536095
7-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]chromen-4-one
CID 10493135
4-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-10H-acridin-9-one
CID 71571229
2-(2-methoxynaphthalen-1-yl)chromen-4-one
CID 71394280
2-(3,4-dimethoxyphenyl)chromen-4-one
CID 158873505
2-(3-chloropropyl)chromen-4-one
CID 11127898
5-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]chromen-4-one
CID 118278480
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2590659

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-hydroxy-4-methoxyphenyl)ethyl]chromen-4-one?
The IUPAC name of 2-[2-(3-hydroxy-4-methoxyphenyl)ethyl]chromen-4-one (CID 162852587) is 2-[2-(3-hydroxy-4-methoxyphenyl)ethyl]chromen-4-one.
What is the SMILES notation for 2-[2-(3-hydroxy-4-methoxyphenyl)ethyl]chromen-4-one?
The canonical SMILES for 2-[2-(3-hydroxy-4-methoxyphenyl)ethyl]chromen-4-one is COc1ccc(CCc2cc(=O)c3ccccc3o2)cc1O.
What is the InChIKey of 2-[2-(3-hydroxy-4-methoxyphenyl)ethyl]chromen-4-one?
The InChIKey is AGNSVSKRSIBBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c1-21-18-9-7-12(10-16(18)20)6-8-13-11-15(19)14-4-2-3-5-17(14)22-13/h2-5,7,9-11,20H,6,8H2,1H3.
What are the key properties of 2-[2-(3-hydroxy-4-methoxyphenyl)ethyl]chromen-4-one?
2-[2-(3-hydroxy-4-methoxyphenyl)ethyl]chromen-4-one has a molecular weight of 296.32 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-hydroxy-4-methoxyphenyl)ethyl]chromen-4-one is sourced from PubChem (CID 162852587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).