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

C22H15ClO3 — CID 2062838

IUPAC7-[(4-chlorophenyl)methoxy]-3-phenylchromen-2-one
SMILESO=c1oc2cc(OCc3ccc(Cl)cc3)ccc2cc1-c1ccccc1
InChIInChI=1S/C22H15ClO3/c23-18-9-6-15(7-10-18)14-25-19-11-8-17-12-20(16-4-2-1-3-5-16)22(24)26-21(17)13-19/h1-13H,14H2
InChIKeyFEJCJJJPPIOMRF-UHFFFAOYSA-N
MW362.81 g/mol
LogP5.69
Rot. Bonds4

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

7-[(4-chlorophenyl)methoxy]-3-phenylchromen-2-one (PubChem CID 2062838) has the molecular formula C22H15ClO3 and a molecular weight of 362.81 g/mol. Its IUPAC name is 7-[(4-chlorophenyl)methoxy]-3-phenylchromen-2-one.

Molecular Properties

Compound Name7-[(4-chlorophenyl)methoxy]-3-phenylchromen-2-one
PubChem CID2062838
Molecular FormulaC22H15ClO3
Molecular Weight362.81 g/mol
Exact Mass362.07
IUPAC Name7-[(4-chlorophenyl)methoxy]-3-phenylchromen-2-one
SMILESO=c1oc2cc(OCc3ccc(Cl)cc3)ccc2cc1-c1ccccc1
InChIInChI=1S/C22H15ClO3/c23-18-9-6-15(7-10-18)14-25-19-11-8-17-12-20(16-4-2-1-3-5-16)22(24)26-21(17)13-19/h1-13H,14H2
InChIKeyFEJCJJJPPIOMRF-UHFFFAOYSA-N
XLogP5.69
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.81
LogP ≤ 55.69
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-[(3,4-dichlorophenyl)methoxy]-3-phenylchromen-2-one
CID 2062848
3-(4-chlorophenyl)-7-[(2-methylphenyl)methoxy]chromen-2-one
CID 2062764
7-[(2,3,4,5,6-pentafluorophenyl)methoxy]-3-phenylchromen-2-one
CID 44963468
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
3-phenyl-7-[(E)-3-phenylprop-2-enoxy]chromen-2-one
CID 2062832
[3-(4-chlorophenyl)-2-oxochromen-7-yl] furan-2-carboxylate
CID 1265125
[3-(4-chlorophenyl)-2-oxochromen-7-yl] 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate
CID 3350467
3-diphenylphosphoryl-7-phenylmethoxychromen-2-one
CID 177465411
[3-(4-chlorophenyl)-2-oxochromen-7-yl] 2-bromobenzoate
CID 44963584
2-chloro-6-phenylmethoxynaphthalene
CID 125116795
3-(4-chlorophenyl)-7-methylchromen-2-one
CID 95049008

Frequently Asked Questions

What is the IUPAC name of 7-[(4-chlorophenyl)methoxy]-3-phenylchromen-2-one?
The IUPAC name of 7-[(4-chlorophenyl)methoxy]-3-phenylchromen-2-one (CID 2062838) is 7-[(4-chlorophenyl)methoxy]-3-phenylchromen-2-one.
What is the SMILES notation for 7-[(4-chlorophenyl)methoxy]-3-phenylchromen-2-one?
The canonical SMILES for 7-[(4-chlorophenyl)methoxy]-3-phenylchromen-2-one is O=c1oc2cc(OCc3ccc(Cl)cc3)ccc2cc1-c1ccccc1.
What is the InChIKey of 7-[(4-chlorophenyl)methoxy]-3-phenylchromen-2-one?
The InChIKey is FEJCJJJPPIOMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClO3/c23-18-9-6-15(7-10-18)14-25-19-11-8-17-12-20(16-4-2-1-3-5-16)22(24)26-21(17)13-19/h1-13H,14H2.
What are the key properties of 7-[(4-chlorophenyl)methoxy]-3-phenylchromen-2-one?
7-[(4-chlorophenyl)methoxy]-3-phenylchromen-2-one has a molecular weight of 362.81 g/mol, XLogP of 5.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-chlorophenyl)methoxy]-3-phenylchromen-2-one is sourced from PubChem (CID 2062838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).