2-(4-chlorophenyl)-6-methylchromen-4-one

C16H11ClO2 — CID 643579

IUPAC2-(4-chlorophenyl)-6-methylchromen-4-one
SMILESCc1ccc2oc(-c3ccc(Cl)cc3)cc(=O)c2c1
InChIInChI=1S/C16H11ClO2/c1-10-2-7-15-13(8-10)14(18)9-16(19-15)11-3-5-12(17)6-4-11/h2-9H,1H3
InChIKeyZMRCCOUBQBXXHF-UHFFFAOYSA-N
MW270.72 g/mol
LogP4.42
Rot. Bonds1

About 2-(4-chlorophenyl)-6-methylchromen-4-one

2-(4-chlorophenyl)-6-methylchromen-4-one (PubChem CID 643579) has the molecular formula C16H11ClO2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-methylchromen-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-methylchromen-4-one
PubChem CID643579
Molecular FormulaC16H11ClO2
Molecular Weight270.72 g/mol
Exact Mass270.04
IUPAC Name2-(4-chlorophenyl)-6-methylchromen-4-one
SMILESCc1ccc2oc(-c3ccc(Cl)cc3)cc(=O)c2c1
InChIInChI=1S/C16H11ClO2/c1-10-2-7-15-13(8-10)14(18)9-16(19-15)11-3-5-12(17)6-4-11/h2-9H,1H3
InChIKeyZMRCCOUBQBXXHF-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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-methylchromen-4-one?
The IUPAC name of 2-(4-chlorophenyl)-6-methylchromen-4-one (CID 643579) is 2-(4-chlorophenyl)-6-methylchromen-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-6-methylchromen-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-6-methylchromen-4-one is Cc1ccc2oc(-c3ccc(Cl)cc3)cc(=O)c2c1.
What is the InChIKey of 2-(4-chlorophenyl)-6-methylchromen-4-one?
The InChIKey is ZMRCCOUBQBXXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClO2/c1-10-2-7-15-13(8-10)14(18)9-16(19-15)11-3-5-12(17)6-4-11/h2-9H,1H3.
What are the key properties of 2-(4-chlorophenyl)-6-methylchromen-4-one?
2-(4-chlorophenyl)-6-methylchromen-4-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 2-(4-chlorophenyl)-6-methylchromen-4-one is sourced from PubChem (CID 643579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).