3-hydroxy-6-methoxy-2-(3-methoxyphenyl)chromen-4-one

C17H14O5 — CID 688835

IUPAC3-hydroxy-6-methoxy-2-(3-methoxyphenyl)chromen-4-one
SMILESCOc1cccc(-c2oc3ccc(OC)cc3c(=O)c2O)c1
InChIInChI=1S/C17H14O5/c1-20-11-5-3-4-10(8-11)17-16(19)15(18)13-9-12(21-2)6-7-14(13)22-17/h3-9,19H,1-2H3
InChIKeyWOEUTFRCQAFFOM-UHFFFAOYSA-N
MW298.29 g/mol
LogP3.18
Rot. Bonds3

About 3-hydroxy-6-methoxy-2-(3-methoxyphenyl)chromen-4-one

3-hydroxy-6-methoxy-2-(3-methoxyphenyl)chromen-4-one (PubChem CID 688835) has the molecular formula C17H14O5 and a molecular weight of 298.29 g/mol. Its IUPAC name is 3-hydroxy-6-methoxy-2-(3-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name3-hydroxy-6-methoxy-2-(3-methoxyphenyl)chromen-4-one
PubChem CID688835
Molecular FormulaC17H14O5
Molecular Weight298.29 g/mol
Exact Mass298.08
IUPAC Name3-hydroxy-6-methoxy-2-(3-methoxyphenyl)chromen-4-one
SMILESCOc1cccc(-c2oc3ccc(OC)cc3c(=O)c2O)c1
InChIInChI=1S/C17H14O5/c1-20-11-5-3-4-10(8-11)17-16(19)15(18)13-9-12(21-2)6-7-14(13)22-17/h3-9,19H,1-2H3
InChIKeyWOEUTFRCQAFFOM-UHFFFAOYSA-N
XLogP3.18
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-methoxy-2-(3-methoxyphenyl)chromen-4-one?
The IUPAC name of 3-hydroxy-6-methoxy-2-(3-methoxyphenyl)chromen-4-one (CID 688835) is 3-hydroxy-6-methoxy-2-(3-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 3-hydroxy-6-methoxy-2-(3-methoxyphenyl)chromen-4-one?
The canonical SMILES for 3-hydroxy-6-methoxy-2-(3-methoxyphenyl)chromen-4-one is COc1cccc(-c2oc3ccc(OC)cc3c(=O)c2O)c1.
What is the InChIKey of 3-hydroxy-6-methoxy-2-(3-methoxyphenyl)chromen-4-one?
The InChIKey is WOEUTFRCQAFFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O5/c1-20-11-5-3-4-10(8-11)17-16(19)15(18)13-9-12(21-2)6-7-14(13)22-17/h3-9,19H,1-2H3.
What are the key properties of 3-hydroxy-6-methoxy-2-(3-methoxyphenyl)chromen-4-one?
3-hydroxy-6-methoxy-2-(3-methoxyphenyl)chromen-4-one has a molecular weight of 298.29 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-methoxy-2-(3-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 688835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).