5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-6-methylchromen-4-one

C18H16O5 — CID 15715157

IUPAC5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-6-methylchromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3c(O)c(C)c(OC)cc3o2)cc1
InChIInChI=1S/C18H16O5/c1-10-14(22-3)9-16-17(18(10)20)13(19)8-15(23-16)11-4-6-12(21-2)7-5-11/h4-9,20H,1-3H3
InChIKeyQPWOSZAYIILLKU-UHFFFAOYSA-N
MW312.32 g/mol
LogP3.49
Rot. Bonds3

About 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-6-methylchromen-4-one

5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-6-methylchromen-4-one (PubChem CID 15715157) has the molecular formula C18H16O5 and a molecular weight of 312.32 g/mol. Its IUPAC name is 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-6-methylchromen-4-one.

Molecular Properties

Compound Name5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-6-methylchromen-4-one
PubChem CID15715157
Molecular FormulaC18H16O5
Molecular Weight312.32 g/mol
Exact Mass312.10
IUPAC Name5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-6-methylchromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3c(O)c(C)c(OC)cc3o2)cc1
InChIInChI=1S/C18H16O5/c1-10-14(22-3)9-16-17(18(10)20)13(19)8-15(23-16)11-4-6-12(21-2)7-5-11/h4-9,20H,1-3H3
InChIKeyQPWOSZAYIILLKU-UHFFFAOYSA-N
XLogP3.49
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-6-methylchromen-4-one?
The IUPAC name of 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-6-methylchromen-4-one (CID 15715157) is 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-6-methylchromen-4-one.
What is the SMILES notation for 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-6-methylchromen-4-one?
The canonical SMILES for 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-6-methylchromen-4-one is COc1ccc(-c2cc(=O)c3c(O)c(C)c(OC)cc3o2)cc1.
What is the InChIKey of 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-6-methylchromen-4-one?
The InChIKey is QPWOSZAYIILLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O5/c1-10-14(22-3)9-16-17(18(10)20)13(19)8-15(23-16)11-4-6-12(21-2)7-5-11/h4-9,20H,1-3H3.
What are the key properties of 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-6-methylchromen-4-one?
5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-6-methylchromen-4-one has a molecular weight of 312.32 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-6-methylchromen-4-one is sourced from PubChem (CID 15715157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).