6-[4-(hydroxymethyl)phenyl]-5,7-dimethyl-4-phenylchromen-2-one

C24H20O3 — CID 6540210

IUPAC6-[4-(hydroxymethyl)phenyl]-5,7-dimethyl-4-phenylchromen-2-one
SMILESCc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccc(CO)cc1
InChIInChI=1S/C24H20O3/c1-15-12-21-24(16(2)23(15)19-10-8-17(14-25)9-11-19)20(13-22(26)27-21)18-6-4-3-5-7-18/h3-13,25H,14H2,1-2H3
InChIKeyADRBEBBSCZRBOP-UHFFFAOYSA-N
MW356.42 g/mol
LogP5.24
Rot. Bonds3

About 6-[4-(hydroxymethyl)phenyl]-5,7-dimethyl-4-phenylchromen-2-one

6-[4-(hydroxymethyl)phenyl]-5,7-dimethyl-4-phenylchromen-2-one (PubChem CID 6540210) has the molecular formula C24H20O3 and a molecular weight of 356.42 g/mol. Its IUPAC name is 6-[4-(hydroxymethyl)phenyl]-5,7-dimethyl-4-phenylchromen-2-one.

Molecular Properties

Compound Name6-[4-(hydroxymethyl)phenyl]-5,7-dimethyl-4-phenylchromen-2-one
PubChem CID6540210
Molecular FormulaC24H20O3
Molecular Weight356.42 g/mol
Exact Mass356.14
IUPAC Name6-[4-(hydroxymethyl)phenyl]-5,7-dimethyl-4-phenylchromen-2-one
SMILESCc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccc(CO)cc1
InChIInChI=1S/C24H20O3/c1-15-12-21-24(16(2)23(15)19-10-8-17(14-25)9-11-19)20(13-22(26)27-21)18-6-4-3-5-7-18/h3-13,25H,14H2,1-2H3
InChIKeyADRBEBBSCZRBOP-UHFFFAOYSA-N
XLogP5.24
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.42
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(hydroxymethyl)phenyl]-5,7-dimethyl-4-phenylchromen-2-one?
The IUPAC name of 6-[4-(hydroxymethyl)phenyl]-5,7-dimethyl-4-phenylchromen-2-one (CID 6540210) is 6-[4-(hydroxymethyl)phenyl]-5,7-dimethyl-4-phenylchromen-2-one.
What is the SMILES notation for 6-[4-(hydroxymethyl)phenyl]-5,7-dimethyl-4-phenylchromen-2-one?
The canonical SMILES for 6-[4-(hydroxymethyl)phenyl]-5,7-dimethyl-4-phenylchromen-2-one is Cc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccc(CO)cc1.
What is the InChIKey of 6-[4-(hydroxymethyl)phenyl]-5,7-dimethyl-4-phenylchromen-2-one?
The InChIKey is ADRBEBBSCZRBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O3/c1-15-12-21-24(16(2)23(15)19-10-8-17(14-25)9-11-19)20(13-22(26)27-21)18-6-4-3-5-7-18/h3-13,25H,14H2,1-2H3.
What are the key properties of 6-[4-(hydroxymethyl)phenyl]-5,7-dimethyl-4-phenylchromen-2-one?
6-[4-(hydroxymethyl)phenyl]-5,7-dimethyl-4-phenylchromen-2-one has a molecular weight of 356.42 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(hydroxymethyl)phenyl]-5,7-dimethyl-4-phenylchromen-2-one is sourced from PubChem (CID 6540210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).