3-hydroxy-8-methoxy-2-(4-methylphenyl)chromen-4-one

C17H14O4 — CID 13270924

IUPAC3-hydroxy-8-methoxy-2-(4-methylphenyl)chromen-4-one
SMILESCOc1cccc2c(=O)c(O)c(-c3ccc(C)cc3)oc12
InChIInChI=1S/C17H14O4/c1-10-6-8-11(9-7-10)16-15(19)14(18)12-4-3-5-13(20-2)17(12)21-16/h3-9,19H,1-2H3
InChIKeyCNULLTVRPQYJSN-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.48
Rot. Bonds2

About 3-hydroxy-8-methoxy-2-(4-methylphenyl)chromen-4-one

3-hydroxy-8-methoxy-2-(4-methylphenyl)chromen-4-one (PubChem CID 13270924) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-hydroxy-8-methoxy-2-(4-methylphenyl)chromen-4-one.

Molecular Properties

Compound Name3-hydroxy-8-methoxy-2-(4-methylphenyl)chromen-4-one
PubChem CID13270924
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name3-hydroxy-8-methoxy-2-(4-methylphenyl)chromen-4-one
SMILESCOc1cccc2c(=O)c(O)c(-c3ccc(C)cc3)oc12
InChIInChI=1S/C17H14O4/c1-10-6-8-11(9-7-10)16-15(19)14(18)12-4-3-5-13(20-2)17(12)21-16/h3-9,19H,1-2H3
InChIKeyCNULLTVRPQYJSN-UHFFFAOYSA-N
XLogP3.48
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-8-methoxy-2-(4-methylphenyl)chromen-4-one?
The IUPAC name of 3-hydroxy-8-methoxy-2-(4-methylphenyl)chromen-4-one (CID 13270924) is 3-hydroxy-8-methoxy-2-(4-methylphenyl)chromen-4-one.
What is the SMILES notation for 3-hydroxy-8-methoxy-2-(4-methylphenyl)chromen-4-one?
The canonical SMILES for 3-hydroxy-8-methoxy-2-(4-methylphenyl)chromen-4-one is COc1cccc2c(=O)c(O)c(-c3ccc(C)cc3)oc12.
What is the InChIKey of 3-hydroxy-8-methoxy-2-(4-methylphenyl)chromen-4-one?
The InChIKey is CNULLTVRPQYJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c1-10-6-8-11(9-7-10)16-15(19)14(18)12-4-3-5-13(20-2)17(12)21-16/h3-9,19H,1-2H3.
What are the key properties of 3-hydroxy-8-methoxy-2-(4-methylphenyl)chromen-4-one?
3-hydroxy-8-methoxy-2-(4-methylphenyl)chromen-4-one has a molecular weight of 282.30 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-8-methoxy-2-(4-methylphenyl)chromen-4-one is sourced from PubChem (CID 13270924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).