1-(2-chlorophenyl)-2-cyclohexylethanone

C14H17ClO — CID 62622311

IUPAC1-(2-chlorophenyl)-2-cyclohexylethanone
SMILESO=C(CC1CCCCC1)c1ccccc1Cl
InChIInChI=1S/C14H17ClO/c15-13-9-5-4-8-12(13)14(16)10-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2
InChIKeyJTLJVZQEHPRBFS-UHFFFAOYSA-N
MW236.74 g/mol
LogP4.49
Rot. Bonds3

About 1-(2-chlorophenyl)-2-cyclohexylethanone

1-(2-chlorophenyl)-2-cyclohexylethanone (PubChem CID 62622311) has the molecular formula C14H17ClO and a molecular weight of 236.74 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-cyclohexylethanone.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-cyclohexylethanone
PubChem CID62622311
Molecular FormulaC14H17ClO
Molecular Weight236.74 g/mol
Exact Mass236.10
IUPAC Name1-(2-chlorophenyl)-2-cyclohexylethanone
SMILESO=C(CC1CCCCC1)c1ccccc1Cl
InChIInChI=1S/C14H17ClO/c15-13-9-5-4-8-12(13)14(16)10-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2
InChIKeyJTLJVZQEHPRBFS-UHFFFAOYSA-N
XLogP4.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.74
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(2-chlorophenyl)-2-(cyclopentylmethoxy)ethanone
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1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclohexylethanone
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2-cyclobutyl-1-(2-methylphenyl)ethanone
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4-(2-chlorophenyl)-N-(cyclopentylmethyl)-4-oxobutanamide
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CID 103167728
2-cyclopentyl-1-(2-ethoxyphenyl)ethanone
CID 115533350
1-(2-amino-3-fluorophenyl)-2-cyclohexylethanone
CID 116597683
1-(2-chlorophenyl)-2-phosphanylethanone
CID 144986578
2-cyclopentyl-1-phenylethanone;hydrochloride
CID 174593040
1-(4-chloro-1H-indol-3-yl)-2-cyclobutylethanone
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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-cyclohexylethanone?
The IUPAC name of 1-(2-chlorophenyl)-2-cyclohexylethanone (CID 62622311) is 1-(2-chlorophenyl)-2-cyclohexylethanone.
What is the SMILES notation for 1-(2-chlorophenyl)-2-cyclohexylethanone?
The canonical SMILES for 1-(2-chlorophenyl)-2-cyclohexylethanone is O=C(CC1CCCCC1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-cyclohexylethanone?
The InChIKey is JTLJVZQEHPRBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO/c15-13-9-5-4-8-12(13)14(16)10-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2.
What are the key properties of 1-(2-chlorophenyl)-2-cyclohexylethanone?
1-(2-chlorophenyl)-2-cyclohexylethanone has a molecular weight of 236.74 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-cyclohexylethanone is sourced from PubChem (CID 62622311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).