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

C16H11ClO3 — CID 776402

IUPAC2-(2-chlorophenyl)-6-methoxychromen-4-one
SMILESCOc1ccc2oc(-c3ccccc3Cl)cc(=O)c2c1
InChIInChI=1S/C16H11ClO3/c1-19-10-6-7-15-12(8-10)14(18)9-16(20-15)11-4-2-3-5-13(11)17/h2-9H,1H3
InChIKeyALIHOJFCOJIQSW-UHFFFAOYSA-N
MW286.71 g/mol
LogP4.12
Rot. Bonds2

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

2-(2-chlorophenyl)-6-methoxychromen-4-one (PubChem CID 776402) has the molecular formula C16H11ClO3 and a molecular weight of 286.71 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-6-methoxychromen-4-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-6-methoxychromen-4-one
PubChem CID776402
Molecular FormulaC16H11ClO3
Molecular Weight286.71 g/mol
Exact Mass286.04
IUPAC Name2-(2-chlorophenyl)-6-methoxychromen-4-one
SMILESCOc1ccc2oc(-c3ccccc3Cl)cc(=O)c2c1
InChIInChI=1S/C16H11ClO3/c1-19-10-6-7-15-12(8-10)14(18)9-16(20-15)11-4-2-3-5-13(11)17/h2-9H,1H3
InChIKeyALIHOJFCOJIQSW-UHFFFAOYSA-N
XLogP4.12
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.71
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-6-methoxychromen-4-one?
The IUPAC name of 2-(2-chlorophenyl)-6-methoxychromen-4-one (CID 776402) is 2-(2-chlorophenyl)-6-methoxychromen-4-one.
What is the SMILES notation for 2-(2-chlorophenyl)-6-methoxychromen-4-one?
The canonical SMILES for 2-(2-chlorophenyl)-6-methoxychromen-4-one is COc1ccc2oc(-c3ccccc3Cl)cc(=O)c2c1.
What is the InChIKey of 2-(2-chlorophenyl)-6-methoxychromen-4-one?
The InChIKey is ALIHOJFCOJIQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClO3/c1-19-10-6-7-15-12(8-10)14(18)9-16(20-15)11-4-2-3-5-13(11)17/h2-9H,1H3.
What are the key properties of 2-(2-chlorophenyl)-6-methoxychromen-4-one?
2-(2-chlorophenyl)-6-methoxychromen-4-one has a molecular weight of 286.71 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-6-methoxychromen-4-one is sourced from PubChem (CID 776402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).