3-(4-chlorophenyl)-7-[(2-methylphenyl)methoxy]chromen-2-one

C23H17ClO3 — CID 2062764

IUPAC3-(4-chlorophenyl)-7-[(2-methylphenyl)methoxy]chromen-2-one
SMILESCc1ccccc1COc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1
InChIInChI=1S/C23H17ClO3/c1-15-4-2-3-5-18(15)14-26-20-11-8-17-12-21(23(25)27-22(17)13-20)16-6-9-19(24)10-7-16/h2-13H,14H2,1H3
InChIKeyAYRGKLGBLHZQDP-UHFFFAOYSA-N
MW376.84 g/mol
LogP6.00
Rot. Bonds4

About 3-(4-chlorophenyl)-7-[(2-methylphenyl)methoxy]chromen-2-one

3-(4-chlorophenyl)-7-[(2-methylphenyl)methoxy]chromen-2-one (PubChem CID 2062764) has the molecular formula C23H17ClO3 and a molecular weight of 376.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-7-[(2-methylphenyl)methoxy]chromen-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-7-[(2-methylphenyl)methoxy]chromen-2-one
PubChem CID2062764
Molecular FormulaC23H17ClO3
Molecular Weight376.84 g/mol
Exact Mass376.09
IUPAC Name3-(4-chlorophenyl)-7-[(2-methylphenyl)methoxy]chromen-2-one
SMILESCc1ccccc1COc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1
InChIInChI=1S/C23H17ClO3/c1-15-4-2-3-5-18(15)14-26-20-11-8-17-12-21(23(25)27-22(17)13-20)16-6-9-19(24)10-7-16/h2-13H,14H2,1H3
InChIKeyAYRGKLGBLHZQDP-UHFFFAOYSA-N
XLogP6.00
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.84
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[(4-chlorophenyl)methoxy]-3-phenylchromen-2-one
CID 2062838
2-[3-(4-chlorophenyl)-2-oxochromen-7-yl]oxyacetic acid
CID 1383018
3-(4-chlorophenyl)-7-[(E)-3-phenylprop-2-enoxy]chromen-2-one
CID 2062762
7-[(3,4-dichlorophenyl)methoxy]-3-phenylchromen-2-one
CID 2062848
3-(4-chlorophenyl)-7-methylchromen-2-one
CID 95049008
ethyl (2S)-2-[3-(4-chlorophenyl)-2-oxochromen-7-yl]oxypropanoate
CID 1383024
7-[(2,3,4,5,6-pentafluorophenyl)methoxy]-3-phenylchromen-2-one
CID 44963468
7-methoxy-3-(4-methylphenyl)chromen-2-one
CID 73211962
[3-(4-chlorophenyl)-2-oxochromen-7-yl] 2-bromobenzoate
CID 44963584
7-[(2-chloro-6-fluorophenyl)methoxy]-3-(3,4-dimethoxyphenyl)chromen-2-one
CID 2064308
[3-(4-chlorophenyl)-2-oxochromen-7-yl] furan-2-carboxylate
CID 1265125
3-(4-chlorophenyl)-7-[(2,5-dimethylphenyl)methoxy]chromen-4-one
CID 2000257

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-7-[(2-methylphenyl)methoxy]chromen-2-one?
The IUPAC name of 3-(4-chlorophenyl)-7-[(2-methylphenyl)methoxy]chromen-2-one (CID 2062764) is 3-(4-chlorophenyl)-7-[(2-methylphenyl)methoxy]chromen-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)-7-[(2-methylphenyl)methoxy]chromen-2-one?
The canonical SMILES for 3-(4-chlorophenyl)-7-[(2-methylphenyl)methoxy]chromen-2-one is Cc1ccccc1COc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1.
What is the InChIKey of 3-(4-chlorophenyl)-7-[(2-methylphenyl)methoxy]chromen-2-one?
The InChIKey is AYRGKLGBLHZQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClO3/c1-15-4-2-3-5-18(15)14-26-20-11-8-17-12-21(23(25)27-22(17)13-20)16-6-9-19(24)10-7-16/h2-13H,14H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-7-[(2-methylphenyl)methoxy]chromen-2-one?
3-(4-chlorophenyl)-7-[(2-methylphenyl)methoxy]chromen-2-one has a molecular weight of 376.84 g/mol, XLogP of 6.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-7-[(2-methylphenyl)methoxy]chromen-2-one is sourced from PubChem (CID 2062764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).