3-(4-chlorophenyl)-7-[(E)-3-phenylprop-2-enoxy]chromen-2-one

C24H17ClO3 — CID 2062762

IUPAC3-(4-chlorophenyl)-7-[(E)-3-phenylprop-2-enoxy]chromen-2-one
SMILESO=c1oc2cc(OC/C=C/c3ccccc3)ccc2cc1-c1ccc(Cl)cc1
InChIInChI=1S/C24H17ClO3/c25-20-11-8-18(9-12-20)22-15-19-10-13-21(16-23(19)28-24(22)26)27-14-4-7-17-5-2-1-3-6-17/h1-13,15-16H,14H2/b7-4+
InChIKeyUKNYJDXFQXHSBN-QPJJXVBHSA-N
MW388.85 g/mol
LogP6.21
Rot. Bonds5

About 3-(4-chlorophenyl)-7-[(E)-3-phenylprop-2-enoxy]chromen-2-one

3-(4-chlorophenyl)-7-[(E)-3-phenylprop-2-enoxy]chromen-2-one (PubChem CID 2062762) has the molecular formula C24H17ClO3 and a molecular weight of 388.85 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-7-[(E)-3-phenylprop-2-enoxy]chromen-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-7-[(E)-3-phenylprop-2-enoxy]chromen-2-one
PubChem CID2062762
Molecular FormulaC24H17ClO3
Molecular Weight388.85 g/mol
Exact Mass388.09
IUPAC Name3-(4-chlorophenyl)-7-[(E)-3-phenylprop-2-enoxy]chromen-2-one
SMILESO=c1oc2cc(OC/C=C/c3ccccc3)ccc2cc1-c1ccc(Cl)cc1
InChIInChI=1S/C24H17ClO3/c25-20-11-8-18(9-12-20)22-15-19-10-13-21(16-23(19)28-24(22)26)27-14-4-7-17-5-2-1-3-6-17/h1-13,15-16H,14H2/b7-4+
InChIKeyUKNYJDXFQXHSBN-QPJJXVBHSA-N
XLogP6.21
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.85
LogP ≤ 56.21
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

3-phenyl-7-[(E)-3-phenylprop-2-enoxy]chromen-2-one
CID 2062832
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-[(2-methylphenyl)methoxy]chromen-2-one
CID 2062764
7-[(3,4-dichlorophenyl)methoxy]-3-phenylchromen-2-one
CID 2062848
3-(4-methoxyphenyl)-7-(3-methylbut-2-enoxy)chromen-2-one
CID 1424918
7-[(2,3,4,5,6-pentafluorophenyl)methoxy]-3-phenylchromen-2-one
CID 44963468
[3-(4-chlorophenyl)-2-oxochromen-7-yl] 2-bromobenzoate
CID 44963584
[3-(4-chlorophenyl)-2-oxochromen-7-yl] furan-2-carboxylate
CID 1265125
3-(4-chlorophenyl)-7-methylchromen-2-one
CID 95049008
7-ethoxy-3-[(E)-2-phenylethenyl]chromen-2-one
CID 122223923
ethyl (2S)-2-[3-(4-chlorophenyl)-2-oxochromen-7-yl]oxypropanoate
CID 1383024

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-7-[(E)-3-phenylprop-2-enoxy]chromen-2-one?
The IUPAC name of 3-(4-chlorophenyl)-7-[(E)-3-phenylprop-2-enoxy]chromen-2-one (CID 2062762) is 3-(4-chlorophenyl)-7-[(E)-3-phenylprop-2-enoxy]chromen-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)-7-[(E)-3-phenylprop-2-enoxy]chromen-2-one?
The canonical SMILES for 3-(4-chlorophenyl)-7-[(E)-3-phenylprop-2-enoxy]chromen-2-one is O=c1oc2cc(OC/C=C/c3ccccc3)ccc2cc1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-7-[(E)-3-phenylprop-2-enoxy]chromen-2-one?
The InChIKey is UKNYJDXFQXHSBN-QPJJXVBHSA-N. The full InChI is InChI=1S/C24H17ClO3/c25-20-11-8-18(9-12-20)22-15-19-10-13-21(16-23(19)28-24(22)26)27-14-4-7-17-5-2-1-3-6-17/h1-13,15-16H,14H2/b7-4+.
What are the key properties of 3-(4-chlorophenyl)-7-[(E)-3-phenylprop-2-enoxy]chromen-2-one?
3-(4-chlorophenyl)-7-[(E)-3-phenylprop-2-enoxy]chromen-2-one has a molecular weight of 388.85 g/mol, XLogP of 6.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-7-[(E)-3-phenylprop-2-enoxy]chromen-2-one is sourced from PubChem (CID 2062762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).