2-(2-chloro-4-methylphenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol

C18H27ClO2 — CID 106867603

IUPAC2-(2-chloro-4-methylphenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol
SMILESCOC1(C(O)Cc2ccc(C)cc2Cl)CCC(C)(C)CC1
InChIInChI=1S/C18H27ClO2/c1-13-5-6-14(15(19)11-13)12-16(20)18(21-4)9-7-17(2,3)8-10-18/h5-6,11,16,20H,7-10,12H2,1-4H3
InChIKeyAHFIYLKPEDZADZ-UHFFFAOYSA-N
MW310.87 g/mol
LogP4.54
Rot. Bonds4

About 2-(2-chloro-4-methylphenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol

2-(2-chloro-4-methylphenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol (PubChem CID 106867603) has the molecular formula C18H27ClO2 and a molecular weight of 310.87 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol
PubChem CID106867603
Molecular FormulaC18H27ClO2
Molecular Weight310.87 g/mol
Exact Mass310.17
IUPAC Name2-(2-chloro-4-methylphenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol
SMILESCOC1(C(O)Cc2ccc(C)cc2Cl)CCC(C)(C)CC1
InChIInChI=1S/C18H27ClO2/c1-13-5-6-14(15(19)11-13)12-16(20)18(21-4)9-7-17(2,3)8-10-18/h5-6,11,16,20H,7-10,12H2,1-4H3
InChIKeyAHFIYLKPEDZADZ-UHFFFAOYSA-N
XLogP4.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-fluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol
CID 116755725
2-(3-chlorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol
CID 116755700
1-[2-(2-chloro-4-methylphenyl)-1-hydroxyethyl]cycloheptan-1-ol
CID 106867637
[2-(2-chloro-4-methylphenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine
CID 106871506
2-(2-chloro-4-methylphenyl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanol
CID 106867449
2-(3,4-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol
CID 116755577
1-(2-chloro-4-methylphenyl)-3-propoxypropan-2-ol
CID 106867286
1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxypentan-2-ol
CID 106867588
1-(2-chloro-4-methylphenyl)-4-methoxy-3-methylbutan-2-ol
CID 106866649
1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 106867255
1,2-bis(2-chloro-4-methylphenyl)ethanol
CID 106868189
(2R)-3-(2-chloro-4-methylphenyl)-1,1,1-trifluoropropan-2-ol
CID 106867561

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol (CID 106867603) is 2-(2-chloro-4-methylphenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol is COC1(C(O)Cc2ccc(C)cc2Cl)CCC(C)(C)CC1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol?
The InChIKey is AHFIYLKPEDZADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClO2/c1-13-5-6-14(15(19)11-13)12-16(20)18(21-4)9-7-17(2,3)8-10-18/h5-6,11,16,20H,7-10,12H2,1-4H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol?
2-(2-chloro-4-methylphenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol has a molecular weight of 310.87 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol is sourced from PubChem (CID 106867603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).