(4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol

C16H23ClO2 — CID 116755628

IUPAC(4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol
SMILESCOC1(C(O)c2ccc(Cl)cc2)CCC(C)(C)CC1
InChIInChI=1S/C16H23ClO2/c1-15(2)8-10-16(19-3,11-9-15)14(18)12-4-6-13(17)7-5-12/h4-7,14,18H,8-11H2,1-3H3
InChIKeyJTCVSUZYYBZXCF-UHFFFAOYSA-N
MW282.81 g/mol
LogP4.36
Rot. Bonds3

About (4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol

(4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol (PubChem CID 116755628) has the molecular formula C16H23ClO2 and a molecular weight of 282.81 g/mol. Its IUPAC name is (4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol
PubChem CID116755628
Molecular FormulaC16H23ClO2
Molecular Weight282.81 g/mol
Exact Mass282.14
IUPAC Name(4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol
SMILESCOC1(C(O)c2ccc(Cl)cc2)CCC(C)(C)CC1
InChIInChI=1S/C16H23ClO2/c1-15(2)8-10-16(19-3,11-9-15)14(18)12-4-6-13(17)7-5-12/h4-7,14,18H,8-11H2,1-3H3
InChIKeyJTCVSUZYYBZXCF-UHFFFAOYSA-N
XLogP4.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-2-fluorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol
CID 116755605
N-[(4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
CID 116769611
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(4-chlorophenyl)methanol
CID 79134995
(1-methoxy-4,4-dimethylcyclohexyl)-thiophen-2-ylmethanol
CID 116755748
(1-methoxy-4,4-dimethylcyclohexyl)-(2-methylpyrazol-3-yl)methanol
CID 116755712
(2,5-dichlorophenyl)-(1-methoxycyclopentyl)methanol
CID 104610351
(4-fluorophenyl)-(1-methoxy-4-methylcyclohexyl)methanol
CID 116754621
(1-methoxycyclohexyl)-phenylmethanol
CID 116753267
2-(3-chlorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol
CID 116755700
(5-fluoro-2-methylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol
CID 116755728
[(4-chlorophenyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]hydrazine
CID 105277877
(4-chlorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanol
CID 116755230

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol?
The IUPAC name of (4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol (CID 116755628) is (4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol.
What is the SMILES notation for (4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol?
The canonical SMILES for (4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol is COC1(C(O)c2ccc(Cl)cc2)CCC(C)(C)CC1.
What is the InChIKey of (4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol?
The InChIKey is JTCVSUZYYBZXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClO2/c1-15(2)8-10-16(19-3,11-9-15)14(18)12-4-6-13(17)7-5-12/h4-7,14,18H,8-11H2,1-3H3.
What are the key properties of (4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol?
(4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol has a molecular weight of 282.81 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol is sourced from PubChem (CID 116755628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).