7-methoxy-4-methyl-6-phenylchromen-2-one

C17H14O3 — CID 102307411

IUPAC7-methoxy-4-methyl-6-phenylchromen-2-one
SMILESCOc1cc2oc(=O)cc(C)c2cc1-c1ccccc1
InChIInChI=1S/C17H14O3/c1-11-8-17(18)20-16-10-15(19-2)14(9-13(11)16)12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKeyNFCLIYGZPPHKAT-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.78
Rot. Bonds2

About 7-methoxy-4-methyl-6-phenylchromen-2-one

7-methoxy-4-methyl-6-phenylchromen-2-one (PubChem CID 102307411) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 7-methoxy-4-methyl-6-phenylchromen-2-one.

Molecular Properties

Compound Name7-methoxy-4-methyl-6-phenylchromen-2-one
PubChem CID102307411
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name7-methoxy-4-methyl-6-phenylchromen-2-one
SMILESCOc1cc2oc(=O)cc(C)c2cc1-c1ccccc1
InChIInChI=1S/C17H14O3/c1-11-8-17(18)20-16-10-15(19-2)14(9-13(11)16)12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKeyNFCLIYGZPPHKAT-UHFFFAOYSA-N
XLogP3.78
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-methoxy-4-methyl-6-phenylchromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-hydroxy-4-methyl-6-(4-phenyl-1,2-oxazol-5-yl)chromen-2-one
CID 137250269
6-acetyl-7-methoxy-4-methylchromen-2-one
CID 15290605
1-methoxy-4-methyl-2,5-diphenylbenzene
CID 20717375
5,7-dimethoxy-3-phenylchromen-2-one
CID 10493138
6-[hydroxy(oxido)amino]-7-methoxy-4-methylchromen-2-one
CID 21140803
2,7-dimethoxy-9-methyl-3,6-diphenylcarbazole
CID 143239757
3-(4-methoxyphenyl)-5-methylfuro[3,2-g]chromen-7-one
CID 707742
5-methoxy-4-methylchromen-2-one
CID 11286956
methyl (2S)-2-[3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanoylamino]-3-phenylpropanoate
CID 56723795
1,2,4-trimethoxy-5-phenylbenzene
CID 18788699
3-(7-methoxy-4-methyl-2-oxochromen-6-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 42536058
7-ethoxy-6-ethyl-4-phenylchromen-2-one
CID 2888002

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-methyl-6-phenylchromen-2-one?
The IUPAC name of 7-methoxy-4-methyl-6-phenylchromen-2-one (CID 102307411) is 7-methoxy-4-methyl-6-phenylchromen-2-one.
What is the SMILES notation for 7-methoxy-4-methyl-6-phenylchromen-2-one?
The canonical SMILES for 7-methoxy-4-methyl-6-phenylchromen-2-one is COc1cc2oc(=O)cc(C)c2cc1-c1ccccc1.
What is the InChIKey of 7-methoxy-4-methyl-6-phenylchromen-2-one?
The InChIKey is NFCLIYGZPPHKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c1-11-8-17(18)20-16-10-15(19-2)14(9-13(11)16)12-6-4-3-5-7-12/h3-10H,1-2H3.
What are the key properties of 7-methoxy-4-methyl-6-phenylchromen-2-one?
7-methoxy-4-methyl-6-phenylchromen-2-one has a molecular weight of 266.30 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-methyl-6-phenylchromen-2-one is sourced from PubChem (CID 102307411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).