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

C16H12O4 — CID 676296

IUPAC3-hydroxy-2-(3-methoxyphenyl)chromen-4-one
SMILESCOc1cccc(-c2oc3ccccc3c(=O)c2O)c1
InChIInChI=1S/C16H12O4/c1-19-11-6-4-5-10(9-11)16-15(18)14(17)12-7-2-3-8-13(12)20-16/h2-9,18H,1H3
InChIKeyGYLGASXCHFNKHD-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.17
Rot. Bonds2

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

3-hydroxy-2-(3-methoxyphenyl)chromen-4-one (PubChem CID 676296) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 3-hydroxy-2-(3-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name3-hydroxy-2-(3-methoxyphenyl)chromen-4-one
PubChem CID676296
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Name3-hydroxy-2-(3-methoxyphenyl)chromen-4-one
SMILESCOc1cccc(-c2oc3ccccc3c(=O)c2O)c1
InChIInChI=1S/C16H12O4/c1-19-11-6-4-5-10(9-11)16-15(18)14(17)12-7-2-3-8-13(12)20-16/h2-9,18H,1H3
InChIKeyGYLGASXCHFNKHD-UHFFFAOYSA-N
XLogP3.17
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(3-methoxyphenyl)chromen-4-one?
The IUPAC name of 3-hydroxy-2-(3-methoxyphenyl)chromen-4-one (CID 676296) is 3-hydroxy-2-(3-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 3-hydroxy-2-(3-methoxyphenyl)chromen-4-one?
The canonical SMILES for 3-hydroxy-2-(3-methoxyphenyl)chromen-4-one is COc1cccc(-c2oc3ccccc3c(=O)c2O)c1.
What is the InChIKey of 3-hydroxy-2-(3-methoxyphenyl)chromen-4-one?
The InChIKey is GYLGASXCHFNKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4/c1-19-11-6-4-5-10(9-11)16-15(18)14(17)12-7-2-3-8-13(12)20-16/h2-9,18H,1H3.
What are the key properties of 3-hydroxy-2-(3-methoxyphenyl)chromen-4-one?
3-hydroxy-2-(3-methoxyphenyl)chromen-4-one has a molecular weight of 268.27 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(3-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 676296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).