(3-chlorophenyl)-(1-methoxy-4-methylcyclohexyl)methanone

C15H19ClO2 — CID 116749231

IUPAC(3-chlorophenyl)-(1-methoxy-4-methylcyclohexyl)methanone
SMILESCOC1(C(=O)c2cccc(Cl)c2)CCC(C)CC1
InChIInChI=1S/C15H19ClO2/c1-11-6-8-15(18-2,9-7-11)14(17)12-4-3-5-13(16)10-12/h3-5,10-11H,6-9H2,1-2H3
InChIKeyRCVSEIMFNKGOHX-UHFFFAOYSA-N
MW266.77 g/mol
LogP4.12
Rot. Bonds3

About (3-chlorophenyl)-(1-methoxy-4-methylcyclohexyl)methanone

(3-chlorophenyl)-(1-methoxy-4-methylcyclohexyl)methanone (PubChem CID 116749231) has the molecular formula C15H19ClO2 and a molecular weight of 266.77 g/mol. Its IUPAC name is (3-chlorophenyl)-(1-methoxy-4-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-(1-methoxy-4-methylcyclohexyl)methanone
PubChem CID116749231
Molecular FormulaC15H19ClO2
Molecular Weight266.77 g/mol
Exact Mass266.11
IUPAC Name(3-chlorophenyl)-(1-methoxy-4-methylcyclohexyl)methanone
SMILESCOC1(C(=O)c2cccc(Cl)c2)CCC(C)CC1
InChIInChI=1S/C15H19ClO2/c1-11-6-8-15(18-2,9-7-11)14(17)12-4-3-5-13(16)10-12/h3-5,10-11H,6-9H2,1-2H3
InChIKeyRCVSEIMFNKGOHX-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-methoxy-4-methylcyclohexyl)-(3-methylphenyl)methanone
CID 116749281
(4-ethylphenyl)-(1-methoxy-4-methylcyclohexyl)methanone
CID 116749233
3-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527858
(3-cyclobutylphenyl)-(1-methoxycycloheptyl)methanone
CID 114602144
2,3-dihydro-1-benzofuran-5-yl-(1-methoxy-4-methylcyclohexyl)methanone
CID 116749158
(2-amino-5-chloro-3-pyridinyl)-(1-methoxy-4-methylcyclohexyl)methanone
CID 116749240
(3-cyclopropyloxyphenyl)-(1-methoxycycloheptyl)methanone
CID 114521285
(4-methoxyoxan-4-yl)-(3-methylphenyl)methanone
CID 116748760
2-(3-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone
CID 116749228
3-chloro-N-(4-methylpiperidine-1-carbothioyl)benzamide
CID 4940435
3-chloro-N-cyclopropyl-N-methylbenzamide
CID 110726716
(1-methoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanone
CID 114686283

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(1-methoxy-4-methylcyclohexyl)methanone?
The IUPAC name of (3-chlorophenyl)-(1-methoxy-4-methylcyclohexyl)methanone (CID 116749231) is (3-chlorophenyl)-(1-methoxy-4-methylcyclohexyl)methanone.
What is the SMILES notation for (3-chlorophenyl)-(1-methoxy-4-methylcyclohexyl)methanone?
The canonical SMILES for (3-chlorophenyl)-(1-methoxy-4-methylcyclohexyl)methanone is COC1(C(=O)c2cccc(Cl)c2)CCC(C)CC1.
What is the InChIKey of (3-chlorophenyl)-(1-methoxy-4-methylcyclohexyl)methanone?
The InChIKey is RCVSEIMFNKGOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO2/c1-11-6-8-15(18-2,9-7-11)14(17)12-4-3-5-13(16)10-12/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of (3-chlorophenyl)-(1-methoxy-4-methylcyclohexyl)methanone?
(3-chlorophenyl)-(1-methoxy-4-methylcyclohexyl)methanone has a molecular weight of 266.77 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(1-methoxy-4-methylcyclohexyl)methanone is sourced from PubChem (CID 116749231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).