6-(2-chlorophenyl)cyclohexa-2,4-dien-1-one

C12H9ClO — CID 169094136

IUPAC6-(2-chlorophenyl)cyclohexa-2,4-dien-1-one
SMILESO=C1C=CC=CC1c1ccccc1Cl
InChIInChI=1S/C12H9ClO/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8,10H
InChIKeyOGCBWWLODLPGGR-UHFFFAOYSA-N
MW204.66 g/mol
LogP3.12
Rot. Bonds1

About 6-(2-chlorophenyl)cyclohexa-2,4-dien-1-one

6-(2-chlorophenyl)cyclohexa-2,4-dien-1-one (PubChem CID 169094136) has the molecular formula C12H9ClO and a molecular weight of 204.66 g/mol. Its IUPAC name is 6-(2-chlorophenyl)cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-(2-chlorophenyl)cyclohexa-2,4-dien-1-one
PubChem CID169094136
Molecular FormulaC12H9ClO
Molecular Weight204.66 g/mol
Exact Mass204.03
IUPAC Name6-(2-chlorophenyl)cyclohexa-2,4-dien-1-one
SMILESO=C1C=CC=CC1c1ccccc1Cl
InChIInChI=1S/C12H9ClO/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8,10H
InChIKeyOGCBWWLODLPGGR-UHFFFAOYSA-N
XLogP3.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[6-(2-chlorophenyl)cyclohexa-2,4-dien-1-ylidene]methanone
CID 91802156
tricyclo[6.4.1.02,7]trideca-2,4,6,9,11-pentaen-13-one
CID 101227628
6-(4-bromophenyl)cyclohexa-2,4-dien-1-one
CID 141208013
(1S,8R)-13-methylidenetricyclo[6.4.1.02,7]trideca-2,4,6,9,11-pentaene
CID 95564771
(2S)-2-(2-chlorophenyl)cyclobutan-1-one
CID 95240660
4-(2-chlorophenyl)cyclohexan-1-one
CID 19705258
2,7-dichlorocyclohepta-2,4,6-trien-1-one
CID 101073282
bis(4a,9-dihydrofluoren-9-ide);methylidenetitanium(2+);dichloride
CID 87903661
carbon monoxide;2-(2-chlorophenyl)-2,3-dihydropyran-4-one;chromium
CID 11013373
7-(2-chlorophenyl)bicyclo[2.2.1]heptane
CID 10262419
6-(2-fluorophenyl)cyclohexa-2,4-diene-1-thione
CID 173008157
2-(2-chlorophenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazine-1,3-dione
CID 22417598

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)cyclohexa-2,4-dien-1-one?
The IUPAC name of 6-(2-chlorophenyl)cyclohexa-2,4-dien-1-one (CID 169094136) is 6-(2-chlorophenyl)cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-(2-chlorophenyl)cyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-(2-chlorophenyl)cyclohexa-2,4-dien-1-one is O=C1C=CC=CC1c1ccccc1Cl.
What is the InChIKey of 6-(2-chlorophenyl)cyclohexa-2,4-dien-1-one?
The InChIKey is OGCBWWLODLPGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8,10H.
What are the key properties of 6-(2-chlorophenyl)cyclohexa-2,4-dien-1-one?
6-(2-chlorophenyl)cyclohexa-2,4-dien-1-one has a molecular weight of 204.66 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 169094136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).