1-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-2-methoxyethanone

C16H21ClO3 — CID 116750880

IUPAC1-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-2-methoxyethanone
SMILESCOc1ccc(Cl)cc1C(=O)C(OC)C1CCCCC1
InChIInChI=1S/C16H21ClO3/c1-19-14-9-8-12(17)10-13(14)15(18)16(20-2)11-6-4-3-5-7-11/h8-11,16H,3-7H2,1-2H3
InChIKeyAIIPOJOQPCDODD-UHFFFAOYSA-N
MW296.79 g/mol
LogP4.13
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-2-methoxyethanone

1-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-2-methoxyethanone (PubChem CID 116750880) has the molecular formula C16H21ClO3 and a molecular weight of 296.79 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-2-methoxyethanone.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-2-methoxyethanone
PubChem CID116750880
Molecular FormulaC16H21ClO3
Molecular Weight296.79 g/mol
Exact Mass296.12
IUPAC Name1-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-2-methoxyethanone
SMILESCOc1ccc(Cl)cc1C(=O)C(OC)C1CCCCC1
InChIInChI=1S/C16H21ClO3/c1-19-14-9-8-12(17)10-13(14)15(18)16(20-2)11-6-4-3-5-7-11/h8-11,16H,3-7H2,1-2H3
InChIKeyAIIPOJOQPCDODD-UHFFFAOYSA-N
XLogP4.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.79
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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5-chloro-N-(2-cyclopentyl-2-hydroxyethyl)-2-methoxybenzamide
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1-(5-chloro-2-methoxyphenyl)-2,3-dimethylbutan-1-one
CID 104544879
[1-(cyclohexylamino)-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate
CID 18078225
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxybenzamide
CID 94413829
5-chloro-N-(cyclohexylmethyl)-2-methoxybenzamide
CID 2666780
(5-chloro-2-methoxyphenyl)-cyclooctylmethanol
CID 80603904
cyclohexyl 4-[(5-chloro-2-methoxybenzoyl)amino]benzoate
CID 17128661
(1S,2R)-2-amino-2-(5-chloro-2-methoxyphenyl)-1-cyclohexylethanol;hydrochloride
CID 171265627
1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-2-ethoxyethanone
CID 116751154

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-2-methoxyethanone?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-2-methoxyethanone (CID 116750880) is 1-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-2-methoxyethanone.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-2-methoxyethanone?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-2-methoxyethanone is COc1ccc(Cl)cc1C(=O)C(OC)C1CCCCC1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-2-methoxyethanone?
The InChIKey is AIIPOJOQPCDODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClO3/c1-19-14-9-8-12(17)10-13(14)15(18)16(20-2)11-6-4-3-5-7-11/h8-11,16H,3-7H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-2-methoxyethanone?
1-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-2-methoxyethanone has a molecular weight of 296.79 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-2-methoxyethanone is sourced from PubChem (CID 116750880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).