(2-chlorophenyl)-(1-methylcyclohexyl)methanone

C14H17ClO — CID 22173260

IUPAC(2-chlorophenyl)-(1-methylcyclohexyl)methanone
SMILESCC1(C(=O)c2ccccc2Cl)CCCCC1
InChIInChI=1S/C14H17ClO/c1-14(9-5-2-6-10-14)13(16)11-7-3-4-8-12(11)15/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKeyDFHNXJWAFSEKRC-UHFFFAOYSA-N
MW236.74 g/mol
LogP4.49
Rot. Bonds2

About (2-chlorophenyl)-(1-methylcyclohexyl)methanone

(2-chlorophenyl)-(1-methylcyclohexyl)methanone (PubChem CID 22173260) has the molecular formula C14H17ClO and a molecular weight of 236.74 g/mol. Its IUPAC name is (2-chlorophenyl)-(1-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(1-methylcyclohexyl)methanone
PubChem CID22173260
Molecular FormulaC14H17ClO
Molecular Weight236.74 g/mol
Exact Mass236.10
IUPAC Name(2-chlorophenyl)-(1-methylcyclohexyl)methanone
SMILESCC1(C(=O)c2ccccc2Cl)CCCCC1
InChIInChI=1S/C14H17ClO/c1-14(9-5-2-6-10-14)13(16)11-7-3-4-8-12(11)15/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKeyDFHNXJWAFSEKRC-UHFFFAOYSA-N
XLogP4.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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

(2-chlorophenyl)-(2-methylpiperidin-2-yl)methanone
CID 116613964
(2-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanone
CID 79059436
(3-bromo-2-fluorophenyl)-(1-methylcyclohexyl)methanone
CID 106829761
(1-aminocyclopropyl)-(2-chlorophenyl)methanone
CID 116576455
(2,5-dichlorothiophen-3-yl)-(1-methylcyclohexyl)methanone
CID 106826585
6-chloro-5-(1-methylcyclohexanecarbonyl)-1,3-dihydroindol-2-one
CID 106826590
(4-methoxynaphthalen-1-yl)-(1-methylcyclohexyl)methanone
CID 106826561
(2,3-difluoro-4-methylphenyl)-(1-methylcyclohexyl)methanone
CID 107515108
3-chloro-2-[(1-methylcyclopentanecarbonyl)amino]benzoic acid
CID 107046344
(2-chlorophenyl)-(1-phenylcyclopropyl)methanone
CID 63080543
(2,5-dimethylphenyl)-(1-methylcyclohexyl)methanone
CID 106826512
(2-cyclobutylphenyl)-(1-methylcyclopropyl)methanone
CID 114602016

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(1-methylcyclohexyl)methanone?
The IUPAC name of (2-chlorophenyl)-(1-methylcyclohexyl)methanone (CID 22173260) is (2-chlorophenyl)-(1-methylcyclohexyl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(1-methylcyclohexyl)methanone?
The canonical SMILES for (2-chlorophenyl)-(1-methylcyclohexyl)methanone is CC1(C(=O)c2ccccc2Cl)CCCCC1.
What is the InChIKey of (2-chlorophenyl)-(1-methylcyclohexyl)methanone?
The InChIKey is DFHNXJWAFSEKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO/c1-14(9-5-2-6-10-14)13(16)11-7-3-4-8-12(11)15/h3-4,7-8H,2,5-6,9-10H2,1H3.
What are the key properties of (2-chlorophenyl)-(1-methylcyclohexyl)methanone?
(2-chlorophenyl)-(1-methylcyclohexyl)methanone has a molecular weight of 236.74 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(1-methylcyclohexyl)methanone is sourced from PubChem (CID 22173260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).