(2-chloro-4,5-dimethoxyphenyl)-(1-methylcyclohexyl)methanol

C16H23ClO3 — CID 106828309

IUPAC(2-chloro-4,5-dimethoxyphenyl)-(1-methylcyclohexyl)methanol
SMILESCOc1cc(Cl)c(C(O)C2(C)CCCCC2)cc1OC
InChIInChI=1S/C16H23ClO3/c1-16(7-5-4-6-8-16)15(18)11-9-13(19-2)14(20-3)10-12(11)17/h9-10,15,18H,4-8H2,1-3H3
InChIKeyARJIXZHIULHHKK-UHFFFAOYSA-N
MW298.81 g/mol
LogP4.36
Rot. Bonds4

About (2-chloro-4,5-dimethoxyphenyl)-(1-methylcyclohexyl)methanol

(2-chloro-4,5-dimethoxyphenyl)-(1-methylcyclohexyl)methanol (PubChem CID 106828309) has the molecular formula C16H23ClO3 and a molecular weight of 298.81 g/mol. Its IUPAC name is (2-chloro-4,5-dimethoxyphenyl)-(1-methylcyclohexyl)methanol.

Molecular Properties

Compound Name(2-chloro-4,5-dimethoxyphenyl)-(1-methylcyclohexyl)methanol
PubChem CID106828309
Molecular FormulaC16H23ClO3
Molecular Weight298.81 g/mol
Exact Mass298.13
IUPAC Name(2-chloro-4,5-dimethoxyphenyl)-(1-methylcyclohexyl)methanol
SMILESCOc1cc(Cl)c(C(O)C2(C)CCCCC2)cc1OC
InChIInChI=1S/C16H23ClO3/c1-16(7-5-4-6-8-16)15(18)11-9-13(19-2)14(20-3)10-12(11)17/h9-10,15,18H,4-8H2,1-3H3
InChIKeyARJIXZHIULHHKK-UHFFFAOYSA-N
XLogP4.36
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dichlorophenyl)-(1-methylcyclohexyl)methanol
CID 106828313
(2,5-dimethoxyphenyl)-(1-methylcyclohexyl)methanol
CID 106828269
(4-chloro-2,5-dimethylphenyl)-(1-methylcyclohexyl)methanol
CID 106828351
N-[(2,5-dichloro-4-methoxyphenyl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106827158
(3,5-dimethoxyphenyl)-(1-methylcyclohexyl)methanol
CID 106830959
1-[bromo-(1-methylcyclohexyl)methyl]-2-fluoro-4,5-dimethoxybenzene
CID 106828562
1-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)ethanol
CID 117429947
1-[(4-chloro-3-methoxyphenyl)-hydroxymethyl]cycloheptan-1-ol
CID 103452210
1-[bromo-(2,2-dimethylcyclopropyl)methyl]-2-chloro-4,5-dimethoxybenzene
CID 107002722
(5-chloro-2-methoxyphenyl)-(1-methoxycycloheptyl)methanol
CID 116756025
4-chloro-5-(1-hydroxyethyl)-2-methoxyphenol
CID 84671120
1-(2,5-dichloro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanol
CID 103557615

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-dimethoxyphenyl)-(1-methylcyclohexyl)methanol?
The IUPAC name of (2-chloro-4,5-dimethoxyphenyl)-(1-methylcyclohexyl)methanol (CID 106828309) is (2-chloro-4,5-dimethoxyphenyl)-(1-methylcyclohexyl)methanol.
What is the SMILES notation for (2-chloro-4,5-dimethoxyphenyl)-(1-methylcyclohexyl)methanol?
The canonical SMILES for (2-chloro-4,5-dimethoxyphenyl)-(1-methylcyclohexyl)methanol is COc1cc(Cl)c(C(O)C2(C)CCCCC2)cc1OC.
What is the InChIKey of (2-chloro-4,5-dimethoxyphenyl)-(1-methylcyclohexyl)methanol?
The InChIKey is ARJIXZHIULHHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClO3/c1-16(7-5-4-6-8-16)15(18)11-9-13(19-2)14(20-3)10-12(11)17/h9-10,15,18H,4-8H2,1-3H3.
What are the key properties of (2-chloro-4,5-dimethoxyphenyl)-(1-methylcyclohexyl)methanol?
(2-chloro-4,5-dimethoxyphenyl)-(1-methylcyclohexyl)methanol has a molecular weight of 298.81 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-dimethoxyphenyl)-(1-methylcyclohexyl)methanol is sourced from PubChem (CID 106828309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).