4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxychromen-2-one

C18H16O6 — CID 10336603

IUPAC4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxychromen-2-one
SMILESCOc1cc(OC)c2c(-c3ccc(OC)c(O)c3)cc(=O)oc2c1
InChIInChI=1S/C18H16O6/c1-21-11-7-15(23-3)18-12(9-17(20)24-16(18)8-11)10-4-5-14(22-2)13(19)6-10/h4-9,19H,1-3H3
InChIKeyKOAAZLIOOBKJEK-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.19
Rot. Bonds4

About 4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxychromen-2-one

4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxychromen-2-one (PubChem CID 10336603) has the molecular formula C18H16O6 and a molecular weight of 328.32 g/mol. Its IUPAC name is 4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxychromen-2-one.

Molecular Properties

Compound Name4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxychromen-2-one
PubChem CID10336603
Molecular FormulaC18H16O6
Molecular Weight328.32 g/mol
Exact Mass328.09
IUPAC Name4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxychromen-2-one
SMILESCOc1cc(OC)c2c(-c3ccc(OC)c(O)c3)cc(=O)oc2c1
InChIInChI=1S/C18H16O6/c1-21-11-7-15(23-3)18-12(9-17(20)24-16(18)8-11)10-4-5-14(22-2)13(19)6-10/h4-9,19H,1-3H3
InChIKeyKOAAZLIOOBKJEK-UHFFFAOYSA-N
XLogP3.19
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxychromen-2-one?
The IUPAC name of 4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxychromen-2-one (CID 10336603) is 4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxychromen-2-one.
What is the SMILES notation for 4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxychromen-2-one?
The canonical SMILES for 4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxychromen-2-one is COc1cc(OC)c2c(-c3ccc(OC)c(O)c3)cc(=O)oc2c1.
What is the InChIKey of 4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxychromen-2-one?
The InChIKey is KOAAZLIOOBKJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O6/c1-21-11-7-15(23-3)18-12(9-17(20)24-16(18)8-11)10-4-5-14(22-2)13(19)6-10/h4-9,19H,1-3H3.
What are the key properties of 4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxychromen-2-one?
4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxychromen-2-one has a molecular weight of 328.32 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxychromen-2-one is sourced from PubChem (CID 10336603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).