(5-chloro-2-methylphenyl)-(4-methylcyclohexyl)methanone

C15H19ClO — CID 114975097

IUPAC(5-chloro-2-methylphenyl)-(4-methylcyclohexyl)methanone
SMILESCc1ccc(Cl)cc1C(=O)C1CCC(C)CC1
InChIInChI=1S/C15H19ClO/c1-10-3-6-12(7-4-10)15(17)14-9-13(16)8-5-11(14)2/h5,8-10,12H,3-4,6-7H2,1-2H3
InChIKeyUUVYBJLLGCFQST-UHFFFAOYSA-N
MW250.77 g/mol
LogP4.66
Rot. Bonds2

About (5-chloro-2-methylphenyl)-(4-methylcyclohexyl)methanone

(5-chloro-2-methylphenyl)-(4-methylcyclohexyl)methanone (PubChem CID 114975097) has the molecular formula C15H19ClO and a molecular weight of 250.77 g/mol. Its IUPAC name is (5-chloro-2-methylphenyl)-(4-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(5-chloro-2-methylphenyl)-(4-methylcyclohexyl)methanone
PubChem CID114975097
Molecular FormulaC15H19ClO
Molecular Weight250.77 g/mol
Exact Mass250.11
IUPAC Name(5-chloro-2-methylphenyl)-(4-methylcyclohexyl)methanone
SMILESCc1ccc(Cl)cc1C(=O)C1CCC(C)CC1
InChIInChI=1S/C15H19ClO/c1-10-3-6-12(7-4-10)15(17)14-9-13(16)8-5-11(14)2/h5,8-10,12H,3-4,6-7H2,1-2H3
InChIKeyUUVYBJLLGCFQST-UHFFFAOYSA-N
XLogP4.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

tert-butyl 4-(5-chloro-2-methylbenzoyl)piperidine-1-carboxylate
CID 58539966
(2,5-difluorophenyl)-(4-methylcyclohexyl)methanone
CID 55120292
[4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenyl]-(4-methylcyclohexyl)methanone
CID 134358800
(4-fluoro-3-methylphenyl)-(4-methylcyclohexyl)methanone
CID 62790630
(4-fluoro-2-methylphenyl)-(4-methylcyclohexyl)methanone
CID 62790629
methyl 4-chloro-2-(cyclopropanecarbonyl)benzoate
CID 162363879
N-[4-chloro-2-(cyclopropanecarbonyl)phenyl]acetamide
CID 10868327
(5-chloro-2-fluorophenyl)-[4-(methylamino)cyclohexyl]methanone
CID 116917613
(2-bromo-5-chlorophenyl)-(3,4-dimethylcyclohexyl)methanone
CID 114026831
(5-chloro-2-methylphenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 115784636
5-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide
CID 82883323
(4-aminocyclohexyl)-(2,5-dimethylphenyl)methanone
CID 116557468

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methylphenyl)-(4-methylcyclohexyl)methanone?
The IUPAC name of (5-chloro-2-methylphenyl)-(4-methylcyclohexyl)methanone (CID 114975097) is (5-chloro-2-methylphenyl)-(4-methylcyclohexyl)methanone.
What is the SMILES notation for (5-chloro-2-methylphenyl)-(4-methylcyclohexyl)methanone?
The canonical SMILES for (5-chloro-2-methylphenyl)-(4-methylcyclohexyl)methanone is Cc1ccc(Cl)cc1C(=O)C1CCC(C)CC1.
What is the InChIKey of (5-chloro-2-methylphenyl)-(4-methylcyclohexyl)methanone?
The InChIKey is UUVYBJLLGCFQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO/c1-10-3-6-12(7-4-10)15(17)14-9-13(16)8-5-11(14)2/h5,8-10,12H,3-4,6-7H2,1-2H3.
What are the key properties of (5-chloro-2-methylphenyl)-(4-methylcyclohexyl)methanone?
(5-chloro-2-methylphenyl)-(4-methylcyclohexyl)methanone has a molecular weight of 250.77 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methylphenyl)-(4-methylcyclohexyl)methanone is sourced from PubChem (CID 114975097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).