(3,4-dichlorophenyl)-(3-methylcyclohexyl)methanol

C14H18Cl2O — CID 55187547

IUPAC(3,4-dichlorophenyl)-(3-methylcyclohexyl)methanol
SMILESCC1CCCC(C(O)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C14H18Cl2O/c1-9-3-2-4-10(7-9)14(17)11-5-6-12(15)13(16)8-11/h5-6,8-10,14,17H,2-4,7H2,1H3
InChIKeyOFUJQUNMOURMTG-UHFFFAOYSA-N
MW273.20 g/mol
LogP4.85
Rot. Bonds2

About (3,4-dichlorophenyl)-(3-methylcyclohexyl)methanol

(3,4-dichlorophenyl)-(3-methylcyclohexyl)methanol (PubChem CID 55187547) has the molecular formula C14H18Cl2O and a molecular weight of 273.20 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(3-methylcyclohexyl)methanol.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(3-methylcyclohexyl)methanol
PubChem CID55187547
Molecular FormulaC14H18Cl2O
Molecular Weight273.20 g/mol
Exact Mass272.07
IUPAC Name(3,4-dichlorophenyl)-(3-methylcyclohexyl)methanol
SMILESCC1CCCC(C(O)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C14H18Cl2O/c1-9-3-2-4-10(7-9)14(17)11-5-6-12(15)13(16)8-11/h5-6,8-10,14,17H,2-4,7H2,1H3
InChIKeyOFUJQUNMOURMTG-UHFFFAOYSA-N
XLogP4.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.20
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-chloro-4-methoxyphenyl)-(3-methylcyclohexyl)methanol
CID 65026372
(3,4-dichlorophenyl)-(3-methylcyclohexyl)methanamine
CID 55185865
cyclooctyl-(3,4-dichlorophenyl)methanol
CID 65023087
(3-cyclobutylphenyl)-(3-methylcyclohexyl)methanol
CID 114601424
[3-(dimethylamino)phenyl]-(3-methylcyclohexyl)methanol
CID 105104222
(4-chloro-3-methoxyphenyl)-cyclopentylmethanol
CID 79699326
(3-chloro-4-methoxyphenyl)-(3-ethylcyclohexyl)methanol
CID 65026921
(3-chloro-4-methoxyphenyl)-cycloheptylmethanol
CID 62590019
2-(4-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol
CID 107883617
(S)-azetidin-3-yl-(3,4-dichlorophenyl)methanol;hydrochloride
CID 71515954
2-(2,5-dichlorophenyl)-1-(3-methylcyclohexyl)ethanamine
CID 65321480
(3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79900057

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(3-methylcyclohexyl)methanol?
The IUPAC name of (3,4-dichlorophenyl)-(3-methylcyclohexyl)methanol (CID 55187547) is (3,4-dichlorophenyl)-(3-methylcyclohexyl)methanol.
What is the SMILES notation for (3,4-dichlorophenyl)-(3-methylcyclohexyl)methanol?
The canonical SMILES for (3,4-dichlorophenyl)-(3-methylcyclohexyl)methanol is CC1CCCC(C(O)c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of (3,4-dichlorophenyl)-(3-methylcyclohexyl)methanol?
The InChIKey is OFUJQUNMOURMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2O/c1-9-3-2-4-10(7-9)14(17)11-5-6-12(15)13(16)8-11/h5-6,8-10,14,17H,2-4,7H2,1H3.
What are the key properties of (3,4-dichlorophenyl)-(3-methylcyclohexyl)methanol?
(3,4-dichlorophenyl)-(3-methylcyclohexyl)methanol has a molecular weight of 273.20 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(3-methylcyclohexyl)methanol is sourced from PubChem (CID 55187547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).