6-chloro-3-phenylchromen-2-one

C15H9ClO2 — CID 827906

IUPAC6-chloro-3-phenylchromen-2-one
SMILESO=c1oc2ccc(Cl)cc2cc1-c1ccccc1
InChIInChI=1S/C15H9ClO2/c16-12-6-7-14-11(8-12)9-13(15(17)18-14)10-4-2-1-3-5-10/h1-9H
InChIKeyHFOGNAFSEDQAPA-UHFFFAOYSA-N
MW256.69 g/mol
LogP4.11
Rot. Bonds1

About 6-chloro-3-phenylchromen-2-one

6-chloro-3-phenylchromen-2-one (PubChem CID 827906) has the molecular formula C15H9ClO2 and a molecular weight of 256.69 g/mol. Its IUPAC name is 6-chloro-3-phenylchromen-2-one.

Molecular Properties

Compound Name6-chloro-3-phenylchromen-2-one
PubChem CID827906
Molecular FormulaC15H9ClO2
Molecular Weight256.69 g/mol
Exact Mass256.03
IUPAC Name6-chloro-3-phenylchromen-2-one
SMILESO=c1oc2ccc(Cl)cc2cc1-c1ccccc1
InChIInChI=1S/C15H9ClO2/c16-12-6-7-14-11(8-12)9-13(15(17)18-14)10-4-2-1-3-5-10/h1-9H
InChIKeyHFOGNAFSEDQAPA-UHFFFAOYSA-N
XLogP4.11
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 54.11
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

6-Chloroflavone
CID 248021
4'-Chloroflavone
CID 151515
Methyl 5-chloro-2-methoxybenzoate
CID 118574
6-Chloro-2-oxo-2H-chromene-3-carboxylic acid
CID 271643
3-Phenylcoumarin
CID 70385
7-[(3-Chlorobenzyl)oxy]-2-oxo-2H-chromene-4-carbaldehyde
CID 16750123
3'-Chloroflavone
CID 466272
6-Chlorocoumarin
CID 16321
4-Methylphenyl 4-chlorobenzoate
CID 223462
4-Methyl-3-phenylcoumarin
CID 477709
3,6-Dichloro-2-phenyl-4h-chromen-4-one
CID 252696
2'-Chloroflavone
CID 163993

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-phenylchromen-2-one?
The IUPAC name of 6-chloro-3-phenylchromen-2-one (CID 827906) is 6-chloro-3-phenylchromen-2-one.
What is the SMILES notation for 6-chloro-3-phenylchromen-2-one?
The canonical SMILES for 6-chloro-3-phenylchromen-2-one is O=c1oc2ccc(Cl)cc2cc1-c1ccccc1.
What is the InChIKey of 6-chloro-3-phenylchromen-2-one?
The InChIKey is HFOGNAFSEDQAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClO2/c16-12-6-7-14-11(8-12)9-13(15(17)18-14)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 6-chloro-3-phenylchromen-2-one?
6-chloro-3-phenylchromen-2-one has a molecular weight of 256.69 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-phenylchromen-2-one is sourced from PubChem (CID 827906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).