4-chloro-2-cyclohexyl-1-methoxybenzene

C13H17ClO — CID 71228183

IUPAC4-chloro-2-cyclohexyl-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1C1CCCCC1
InChIInChI=1S/C13H17ClO/c1-15-13-8-7-11(14)9-12(13)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3
InChIKeyAKCJPNRRDWSMMW-UHFFFAOYSA-N
MW224.73 g/mol
LogP4.40
Rot. Bonds2

About 4-chloro-2-cyclohexyl-1-methoxybenzene

4-chloro-2-cyclohexyl-1-methoxybenzene (PubChem CID 71228183) has the molecular formula C13H17ClO and a molecular weight of 224.73 g/mol. Its IUPAC name is 4-chloro-2-cyclohexyl-1-methoxybenzene.

Molecular Properties

Compound Name4-chloro-2-cyclohexyl-1-methoxybenzene
PubChem CID71228183
Molecular FormulaC13H17ClO
Molecular Weight224.73 g/mol
Exact Mass224.10
IUPAC Name4-chloro-2-cyclohexyl-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1C1CCCCC1
InChIInChI=1S/C13H17ClO/c1-15-13-8-7-11(14)9-12(13)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3
InChIKeyAKCJPNRRDWSMMW-UHFFFAOYSA-N
XLogP4.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 64504327
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(2S)-2-(5-chloro-2-methoxyphenyl)pyrrolidin-1-ium
CID 7047874
2-(5-chloro-2-methoxyphenyl)azepane
CID 4015818
2-cyclopentyl-4-fluoro-1-methoxybenzene
CID 67457026
4-(4-chloro-2-cyclohexylphenoxy)piperidine
CID 22397483
4-(4-chloro-2-cyclohexylphenoxy)phenol
CID 12767829
2-(5-chloro-2-methoxyphenyl)-3,4,5,6-tetrahydro-2H-azepine
CID 151897745
2-(4-chloro-2-cyclohexylphenoxy)-N,2-dimethylpropan-1-amine
CID 63488678
(2R)-2-(5-chloro-2-methoxyphenyl)azetidine
CID 130700995
methyl 4-(4-chloro-2-cyclohexylphenoxy)butanoate
CID 43378258
3-cyclohexyl-4-methoxybenzoic acid
CID 21199438

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclohexyl-1-methoxybenzene?
The IUPAC name of 4-chloro-2-cyclohexyl-1-methoxybenzene (CID 71228183) is 4-chloro-2-cyclohexyl-1-methoxybenzene.
What is the SMILES notation for 4-chloro-2-cyclohexyl-1-methoxybenzene?
The canonical SMILES for 4-chloro-2-cyclohexyl-1-methoxybenzene is COc1ccc(Cl)cc1C1CCCCC1.
What is the InChIKey of 4-chloro-2-cyclohexyl-1-methoxybenzene?
The InChIKey is AKCJPNRRDWSMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO/c1-15-13-8-7-11(14)9-12(13)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3.
What are the key properties of 4-chloro-2-cyclohexyl-1-methoxybenzene?
4-chloro-2-cyclohexyl-1-methoxybenzene has a molecular weight of 224.73 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclohexyl-1-methoxybenzene is sourced from PubChem (CID 71228183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).