2-(3-methylphenyl)-3-phenylmethoxychromen-4-one

C23H18O3 — CID 175470082

IUPAC2-(3-methylphenyl)-3-phenylmethoxychromen-4-one
SMILESCc1cccc(-c2oc3ccccc3c(=O)c2OCc2ccccc2)c1
InChIInChI=1S/C23H18O3/c1-16-8-7-11-18(14-16)22-23(25-15-17-9-3-2-4-10-17)21(24)19-12-5-6-13-20(19)26-22/h2-14H,15H2,1H3
InChIKeyYYEFAHHGDBFPOJ-UHFFFAOYSA-N
MW342.39 g/mol
LogP5.35
Rot. Bonds4

About 2-(3-methylphenyl)-3-phenylmethoxychromen-4-one

2-(3-methylphenyl)-3-phenylmethoxychromen-4-one (PubChem CID 175470082) has the molecular formula C23H18O3 and a molecular weight of 342.39 g/mol. Its IUPAC name is 2-(3-methylphenyl)-3-phenylmethoxychromen-4-one.

Molecular Properties

Compound Name2-(3-methylphenyl)-3-phenylmethoxychromen-4-one
PubChem CID175470082
Molecular FormulaC23H18O3
Molecular Weight342.39 g/mol
Exact Mass342.13
IUPAC Name2-(3-methylphenyl)-3-phenylmethoxychromen-4-one
SMILESCc1cccc(-c2oc3ccccc3c(=O)c2OCc2ccccc2)c1
InChIInChI=1S/C23H18O3/c1-16-8-7-11-18(14-16)22-23(25-15-17-9-3-2-4-10-17)21(24)19-12-5-6-13-20(19)26-22/h2-14H,15H2,1H3
InChIKeyYYEFAHHGDBFPOJ-UHFFFAOYSA-N
XLogP5.35
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.39
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-methylphenyl)-3-phenylmethoxychromen-4-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

6,8-dichloro-3-[(3-methylphenyl)methoxy]-2-phenylchromen-4-one
CID 7747823
2-[4-(4,4-dimethylpiperidin-1-yl)phenyl]-3-phenylmethoxychromen-4-one
CID 146318582
6-chloro-3-[(4-chlorophenyl)methoxy]-7-methyl-2-phenylchromen-4-one
CID 7747603
6-chloro-3-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one
CID 7746678
2-(2-chlorophenyl)-6,7-dimethyl-3-[(3-methylphenyl)methoxy]chromen-4-one
CID 7742670
3-phenyl-4-phenylmethoxychromen-2-one
CID 70697167
2-(4-oxo-2-phenylchromen-3-yl)oxyacetic acid
CID 735034
6-chloro-2-(furan-3-yl)-3-phenylmethoxychromen-4-one
CID 102287336
6-chloro-2-(5-methylfuran-2-yl)-3-phenylmethoxychromen-4-one
CID 10406627
2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-bis(phenylmethoxy)chromen-4-one
CID 11443055
3-[(6-chloro-4-oxo-2-phenylchromen-3-yl)oxymethyl]benzoate
CID 7746624
8-[2-[3,4-bis(phenylmethoxy)phenyl]-4-oxochromen-3-yl]octyl-trimethylazanium bromide
CID 70125862

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-3-phenylmethoxychromen-4-one?
The IUPAC name of 2-(3-methylphenyl)-3-phenylmethoxychromen-4-one (CID 175470082) is 2-(3-methylphenyl)-3-phenylmethoxychromen-4-one.
What is the SMILES notation for 2-(3-methylphenyl)-3-phenylmethoxychromen-4-one?
The canonical SMILES for 2-(3-methylphenyl)-3-phenylmethoxychromen-4-one is Cc1cccc(-c2oc3ccccc3c(=O)c2OCc2ccccc2)c1.
What is the InChIKey of 2-(3-methylphenyl)-3-phenylmethoxychromen-4-one?
The InChIKey is YYEFAHHGDBFPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O3/c1-16-8-7-11-18(14-16)22-23(25-15-17-9-3-2-4-10-17)21(24)19-12-5-6-13-20(19)26-22/h2-14H,15H2,1H3.
What are the key properties of 2-(3-methylphenyl)-3-phenylmethoxychromen-4-one?
2-(3-methylphenyl)-3-phenylmethoxychromen-4-one has a molecular weight of 342.39 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-3-phenylmethoxychromen-4-one is sourced from PubChem (CID 175470082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).