2-cyclohexyl-1-(3,4-dichlorophenyl)ethanol

C14H18Cl2O — CID 63426977

IUPAC2-cyclohexyl-1-(3,4-dichlorophenyl)ethanol
SMILESOC(CC1CCCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2O/c15-12-7-6-11(9-13(12)16)14(17)8-10-4-2-1-3-5-10/h6-7,9-10,14,17H,1-5,8H2
InChIKeyJBJLMPLVZSLINC-UHFFFAOYSA-N
MW273.20 g/mol
LogP5.00
Rot. Bonds3

About 2-cyclohexyl-1-(3,4-dichlorophenyl)ethanol

2-cyclohexyl-1-(3,4-dichlorophenyl)ethanol (PubChem CID 63426977) has the molecular formula C14H18Cl2O and a molecular weight of 273.20 g/mol. Its IUPAC name is 2-cyclohexyl-1-(3,4-dichlorophenyl)ethanol.

Molecular Properties

Compound Name2-cyclohexyl-1-(3,4-dichlorophenyl)ethanol
PubChem CID63426977
Molecular FormulaC14H18Cl2O
Molecular Weight273.20 g/mol
Exact Mass272.07
IUPAC Name2-cyclohexyl-1-(3,4-dichlorophenyl)ethanol
SMILESOC(CC1CCCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2O/c15-12-7-6-11(9-13(12)16)14(17)8-10-4-2-1-3-5-10/h6-7,9-10,14,17H,1-5,8H2
InChIKeyJBJLMPLVZSLINC-UHFFFAOYSA-N
XLogP5.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.20
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-methylphenyl)-2-cycloheptylethanol
CID 107562179
cyclooctyl-(3,4-dichlorophenyl)methanol
CID 65023087
1-(3-chloro-4-iodophenyl)-2-cyclobutylethanol
CID 103216838
1-cyclopentyl-3-(3,4-dichlorophenyl)propan-2-ol
CID 63411016
2-cyclohexyl-1-pyridin-4-ylethanol
CID 62606485
(1S)-2-(cyclopentylamino)-1-(3,4-dichlorophenyl)ethanol
CID 94591374
methyl 3-cycloheptyl-2-(3,4-dichlorophenyl)propanoate
CID 46221151
1-(4-bromo-3-methylphenyl)-2-cyclohexylethanol
CID 81447995
2-cyclohexyl-1-(4-fluoro-3-methylphenyl)ethanol
CID 55095037
2-cycloheptyl-1-quinolin-6-ylethanol
CID 115826801
2-cyclopentyl-1-[4-(difluoromethyl)phenyl]ethanol
CID 115525070
1-(4-aminophenyl)-2-cyclopentylethanol
CID 106695429

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(3,4-dichlorophenyl)ethanol?
The IUPAC name of 2-cyclohexyl-1-(3,4-dichlorophenyl)ethanol (CID 63426977) is 2-cyclohexyl-1-(3,4-dichlorophenyl)ethanol.
What is the SMILES notation for 2-cyclohexyl-1-(3,4-dichlorophenyl)ethanol?
The canonical SMILES for 2-cyclohexyl-1-(3,4-dichlorophenyl)ethanol is OC(CC1CCCCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-cyclohexyl-1-(3,4-dichlorophenyl)ethanol?
The InChIKey is JBJLMPLVZSLINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2O/c15-12-7-6-11(9-13(12)16)14(17)8-10-4-2-1-3-5-10/h6-7,9-10,14,17H,1-5,8H2.
What are the key properties of 2-cyclohexyl-1-(3,4-dichlorophenyl)ethanol?
2-cyclohexyl-1-(3,4-dichlorophenyl)ethanol has a molecular weight of 273.20 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(3,4-dichlorophenyl)ethanol is sourced from PubChem (CID 63426977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).