4-[3-(2-chloro-4-methylphenyl)propyl]cyclohexan-1-ol

C16H23ClO — CID 70259668

IUPAC4-[3-(2-chloro-4-methylphenyl)propyl]cyclohexan-1-ol
SMILESCc1ccc(CCCC2CCC(O)CC2)c(Cl)c1
InChIInChI=1S/C16H23ClO/c1-12-5-8-14(16(17)11-12)4-2-3-13-6-9-15(18)10-7-13/h5,8,11,13,15,18H,2-4,6-7,9-10H2,1H3
InChIKeyGHISBECLIQZGHU-UHFFFAOYSA-N
MW266.81 g/mol
LogP4.52
Rot. Bonds4

About 4-[3-(2-chloro-4-methylphenyl)propyl]cyclohexan-1-ol

4-[3-(2-chloro-4-methylphenyl)propyl]cyclohexan-1-ol (PubChem CID 70259668) has the molecular formula C16H23ClO and a molecular weight of 266.81 g/mol. Its IUPAC name is 4-[3-(2-chloro-4-methylphenyl)propyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[3-(2-chloro-4-methylphenyl)propyl]cyclohexan-1-ol
PubChem CID70259668
Molecular FormulaC16H23ClO
Molecular Weight266.81 g/mol
Exact Mass266.14
IUPAC Name4-[3-(2-chloro-4-methylphenyl)propyl]cyclohexan-1-ol
SMILESCc1ccc(CCCC2CCC(O)CC2)c(Cl)c1
InChIInChI=1S/C16H23ClO/c1-12-5-8-14(16(17)11-12)4-2-3-13-6-9-15(18)10-7-13/h5,8,11,13,15,18H,2-4,6-7,9-10H2,1H3
InChIKeyGHISBECLIQZGHU-UHFFFAOYSA-N
XLogP4.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.81
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-1-(3-cyclopropylpropyl)-4-methylsulfonylbenzene
CID 174521168
2-chloro-1-(3-chloropropyl)-4-methylbenzene
CID 106869679
4-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol
CID 116928416
2-chloro-N-[(4-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 106124243
1-(2-chloro-4-methylphenyl)heptan-4-one
CID 106870128
1-(2-chloro-4-methylphenyl)-3-cyclopropylpropan-1-one
CID 106865007
3-[(2-chloro-4-methylphenyl)methyl]-2-methylcyclopentan-1-ol
CID 106870221
2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 106864116
2-[(2-chloro-4-methylphenyl)methyl]-4-methylcyclohexan-1-ol
CID 106869160
3-(2-chloro-4-methylphenyl)-2-cyclopropyl-2-methylpropanoic acid
CID 106865472
2-chloro-N-(4-ethylcyclohexyl)-4-methylaniline
CID 28967824
N-[(2-chloro-4-methylphenyl)methyl]cyclobutanamine
CID 106862588

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-chloro-4-methylphenyl)propyl]cyclohexan-1-ol?
The IUPAC name of 4-[3-(2-chloro-4-methylphenyl)propyl]cyclohexan-1-ol (CID 70259668) is 4-[3-(2-chloro-4-methylphenyl)propyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[3-(2-chloro-4-methylphenyl)propyl]cyclohexan-1-ol?
The canonical SMILES for 4-[3-(2-chloro-4-methylphenyl)propyl]cyclohexan-1-ol is Cc1ccc(CCCC2CCC(O)CC2)c(Cl)c1.
What is the InChIKey of 4-[3-(2-chloro-4-methylphenyl)propyl]cyclohexan-1-ol?
The InChIKey is GHISBECLIQZGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClO/c1-12-5-8-14(16(17)11-12)4-2-3-13-6-9-15(18)10-7-13/h5,8,11,13,15,18H,2-4,6-7,9-10H2,1H3.
What are the key properties of 4-[3-(2-chloro-4-methylphenyl)propyl]cyclohexan-1-ol?
4-[3-(2-chloro-4-methylphenyl)propyl]cyclohexan-1-ol has a molecular weight of 266.81 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-chloro-4-methylphenyl)propyl]cyclohexan-1-ol is sourced from PubChem (CID 70259668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).