7-hydroxy-3-(4-hydroxy-2-methylphenyl)-4-methylchromen-2-one

C17H14O4 — CID 89042295

IUPAC7-hydroxy-3-(4-hydroxy-2-methylphenyl)-4-methylchromen-2-one
SMILESCc1cc(O)ccc1-c1c(C)c2ccc(O)cc2oc1=O
InChIInChI=1S/C17H14O4/c1-9-7-11(18)3-5-13(9)16-10(2)14-6-4-12(19)8-15(14)21-17(16)20/h3-8,18-19H,1-2H3
InChIKeyWDVKEIUBEHNEBS-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.49
Rot. Bonds1

About 7-hydroxy-3-(4-hydroxy-2-methylphenyl)-4-methylchromen-2-one

7-hydroxy-3-(4-hydroxy-2-methylphenyl)-4-methylchromen-2-one (PubChem CID 89042295) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 7-hydroxy-3-(4-hydroxy-2-methylphenyl)-4-methylchromen-2-one.

Molecular Properties

Compound Name7-hydroxy-3-(4-hydroxy-2-methylphenyl)-4-methylchromen-2-one
PubChem CID89042295
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name7-hydroxy-3-(4-hydroxy-2-methylphenyl)-4-methylchromen-2-one
SMILESCc1cc(O)ccc1-c1c(C)c2ccc(O)cc2oc1=O
InChIInChI=1S/C17H14O4/c1-9-7-11(18)3-5-13(9)16-10(2)14-6-4-12(19)8-15(14)21-17(16)20/h3-8,18-19H,1-2H3
InChIKeyWDVKEIUBEHNEBS-UHFFFAOYSA-N
XLogP3.49
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-(4-hydroxy-2-methylphenyl)-4-methylchromen-2-one?
The IUPAC name of 7-hydroxy-3-(4-hydroxy-2-methylphenyl)-4-methylchromen-2-one (CID 89042295) is 7-hydroxy-3-(4-hydroxy-2-methylphenyl)-4-methylchromen-2-one.
What is the SMILES notation for 7-hydroxy-3-(4-hydroxy-2-methylphenyl)-4-methylchromen-2-one?
The canonical SMILES for 7-hydroxy-3-(4-hydroxy-2-methylphenyl)-4-methylchromen-2-one is Cc1cc(O)ccc1-c1c(C)c2ccc(O)cc2oc1=O.
What is the InChIKey of 7-hydroxy-3-(4-hydroxy-2-methylphenyl)-4-methylchromen-2-one?
The InChIKey is WDVKEIUBEHNEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c1-9-7-11(18)3-5-13(9)16-10(2)14-6-4-12(19)8-15(14)21-17(16)20/h3-8,18-19H,1-2H3.
What are the key properties of 7-hydroxy-3-(4-hydroxy-2-methylphenyl)-4-methylchromen-2-one?
7-hydroxy-3-(4-hydroxy-2-methylphenyl)-4-methylchromen-2-one has a molecular weight of 282.30 g/mol, XLogP of 3.49, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-(4-hydroxy-2-methylphenyl)-4-methylchromen-2-one is sourced from PubChem (CID 89042295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).