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

C16H12O4 — CID 578729

IUPAC3-hydroxy-2-(2-methoxyphenyl)chromen-4-one
SMILESCOc1ccccc1-c1oc2ccccc2c(=O)c1O
InChIInChI=1S/C16H12O4/c1-19-12-8-4-3-7-11(12)16-15(18)14(17)10-6-2-5-9-13(10)20-16/h2-9,18H,1H3
InChIKeyNOPCFBOJEWSFKO-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.17
Rot. Bonds2

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

3-hydroxy-2-(2-methoxyphenyl)chromen-4-one (PubChem CID 578729) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 3-hydroxy-2-(2-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name3-hydroxy-2-(2-methoxyphenyl)chromen-4-one
PubChem CID578729
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Name3-hydroxy-2-(2-methoxyphenyl)chromen-4-one
SMILESCOc1ccccc1-c1oc2ccccc2c(=O)c1O
InChIInChI=1S/C16H12O4/c1-19-12-8-4-3-7-11(12)16-15(18)14(17)10-6-2-5-9-13(10)20-16/h2-9,18H,1H3
InChIKeyNOPCFBOJEWSFKO-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-(2-methoxyphenyl)chromen-4-one?
The IUPAC name of 3-hydroxy-2-(2-methoxyphenyl)chromen-4-one (CID 578729) is 3-hydroxy-2-(2-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 3-hydroxy-2-(2-methoxyphenyl)chromen-4-one?
The canonical SMILES for 3-hydroxy-2-(2-methoxyphenyl)chromen-4-one is COc1ccccc1-c1oc2ccccc2c(=O)c1O.
What is the InChIKey of 3-hydroxy-2-(2-methoxyphenyl)chromen-4-one?
The InChIKey is NOPCFBOJEWSFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4/c1-19-12-8-4-3-7-11(12)16-15(18)14(17)10-6-2-5-9-13(10)20-16/h2-9,18H,1H3.
What are the key properties of 3-hydroxy-2-(2-methoxyphenyl)chromen-4-one?
3-hydroxy-2-(2-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-(2-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 578729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).