(3-chloro-4-methoxyphenyl)-(1-methylcyclohexyl)methanone

C15H19ClO2 — CID 106826559

IUPAC(3-chloro-4-methoxyphenyl)-(1-methylcyclohexyl)methanone
SMILESCOc1ccc(C(=O)C2(C)CCCCC2)cc1Cl
InChIInChI=1S/C15H19ClO2/c1-15(8-4-3-5-9-15)14(17)11-6-7-13(18-2)12(16)10-11/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyNWQSXTLCVAOUJA-UHFFFAOYSA-N
MW266.77 g/mol
LogP4.50
Rot. Bonds3

About (3-chloro-4-methoxyphenyl)-(1-methylcyclohexyl)methanone

(3-chloro-4-methoxyphenyl)-(1-methylcyclohexyl)methanone (PubChem CID 106826559) has the molecular formula C15H19ClO2 and a molecular weight of 266.77 g/mol. Its IUPAC name is (3-chloro-4-methoxyphenyl)-(1-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(3-chloro-4-methoxyphenyl)-(1-methylcyclohexyl)methanone
PubChem CID106826559
Molecular FormulaC15H19ClO2
Molecular Weight266.77 g/mol
Exact Mass266.11
IUPAC Name(3-chloro-4-methoxyphenyl)-(1-methylcyclohexyl)methanone
SMILESCOc1ccc(C(=O)C2(C)CCCCC2)cc1Cl
InChIInChI=1S/C15H19ClO2/c1-15(8-4-3-5-9-15)14(17)11-6-7-13(18-2)12(16)10-11/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyNWQSXTLCVAOUJA-UHFFFAOYSA-N
XLogP4.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-methylcyclohexyl)-(2,3,4-trimethoxyphenyl)methanone
CID 106826594
(3-chloro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone
CID 107176355
3-chloro-N-cyclohexyl-4-methoxybenzamide
CID 56923251
1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 43227598
(4-methoxynaphthalen-1-yl)-(1-methylcyclohexyl)methanone
CID 106826561
(3,5-difluorophenyl)-(1-methylcyclohexyl)methanone
CID 106829567
2-amino-1-(3-chloro-4-methoxyphenyl)ethanone
CID 79002249
1-(3-chloro-4-methoxyphenyl)cyclopentane-1-carbaldehyde
CID 82129814
1-(3-chloro-4-methoxyanilino)cyclopentane-1-carboxylic acid
CID 71564864
(3-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone
CID 106892546
(2-chlorophenyl)-(1-methylcyclohexyl)methanone
CID 22173260
3-(3-chloro-4-methoxyphenyl)-3-cyclohexylprop-2-enoic acid
CID 171148042

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methoxyphenyl)-(1-methylcyclohexyl)methanone?
The IUPAC name of (3-chloro-4-methoxyphenyl)-(1-methylcyclohexyl)methanone (CID 106826559) is (3-chloro-4-methoxyphenyl)-(1-methylcyclohexyl)methanone.
What is the SMILES notation for (3-chloro-4-methoxyphenyl)-(1-methylcyclohexyl)methanone?
The canonical SMILES for (3-chloro-4-methoxyphenyl)-(1-methylcyclohexyl)methanone is COc1ccc(C(=O)C2(C)CCCCC2)cc1Cl.
What is the InChIKey of (3-chloro-4-methoxyphenyl)-(1-methylcyclohexyl)methanone?
The InChIKey is NWQSXTLCVAOUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO2/c1-15(8-4-3-5-9-15)14(17)11-6-7-13(18-2)12(16)10-11/h6-7,10H,3-5,8-9H2,1-2H3.
What are the key properties of (3-chloro-4-methoxyphenyl)-(1-methylcyclohexyl)methanone?
(3-chloro-4-methoxyphenyl)-(1-methylcyclohexyl)methanone has a molecular weight of 266.77 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methoxyphenyl)-(1-methylcyclohexyl)methanone is sourced from PubChem (CID 106826559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).