3-(4-chlorophenyl)-7-methylchromen-2-one

C16H11ClO2 — CID 95049008

IUPAC3-(4-chlorophenyl)-7-methylchromen-2-one
SMILESCc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1
InChIInChI=1S/C16H11ClO2/c1-10-2-3-12-9-14(16(18)19-15(12)8-10)11-4-6-13(17)7-5-11/h2-9H,1H3
InChIKeyGZOCQUYNADBWMF-UHFFFAOYSA-N
MW270.72 g/mol
LogP4.42
Rot. Bonds1

About 3-(4-chlorophenyl)-7-methylchromen-2-one

3-(4-chlorophenyl)-7-methylchromen-2-one (PubChem CID 95049008) has the molecular formula C16H11ClO2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-7-methylchromen-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-7-methylchromen-2-one
PubChem CID95049008
Molecular FormulaC16H11ClO2
Molecular Weight270.72 g/mol
Exact Mass270.04
IUPAC Name3-(4-chlorophenyl)-7-methylchromen-2-one
SMILESCc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1
InChIInChI=1S/C16H11ClO2/c1-10-2-3-12-9-14(16(18)19-15(12)8-10)11-4-6-13(17)7-5-11/h2-9H,1H3
InChIKeyGZOCQUYNADBWMF-UHFFFAOYSA-N
XLogP4.42
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-3-(4-sulfanylphenyl)chromen-2-one
CID 90146912
7-methoxy-3-(4-methylphenyl)chromen-2-one
CID 73211962
3-(4-chlorophenyl)-7-[(2-methylphenyl)methoxy]chromen-2-one
CID 2062764
6,7-bis(4-methylphenyl)chromen-2-one
CID 58882740
ethyl (2S)-2-[3-(4-chlorophenyl)-2-oxochromen-7-yl]oxypropanoate
CID 1383024
3-(2-hydroxyphenyl)-7-methylchromen-2-one
CID 164686833
2-[3-(4-chlorophenyl)-2-oxochromen-7-yl]oxyacetic acid
CID 1383018
3-(4-aminophenyl)-6-chlorochromen-2-one
CID 86096561
6-hydroxy-3-(4-methylphenyl)chromen-2-one
CID 56594088
2-hydroxy-4-methylbenzaldehyde;7-methyl-3-(4-methylphenyl)chromen-2-one;2-(4-methylphenyl)acetyl chloride
CID 161217544
7-methyl-3-(4-methyl-1,3-oxazol-2-yl)chromen-2-one
CID 162687769
3-(4-methylphenyl)-6-phenylchromen-2-one
CID 89166486

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-7-methylchromen-2-one?
The IUPAC name of 3-(4-chlorophenyl)-7-methylchromen-2-one (CID 95049008) is 3-(4-chlorophenyl)-7-methylchromen-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)-7-methylchromen-2-one?
The canonical SMILES for 3-(4-chlorophenyl)-7-methylchromen-2-one is Cc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1.
What is the InChIKey of 3-(4-chlorophenyl)-7-methylchromen-2-one?
The InChIKey is GZOCQUYNADBWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClO2/c1-10-2-3-12-9-14(16(18)19-15(12)8-10)11-4-6-13(17)7-5-11/h2-9H,1H3.
What are the key properties of 3-(4-chlorophenyl)-7-methylchromen-2-one?
3-(4-chlorophenyl)-7-methylchromen-2-one has a molecular weight of 270.72 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-7-methylchromen-2-one is sourced from PubChem (CID 95049008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).