1-[(5-chloro-2-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-ol

C16H23ClO2 — CID 65153588

IUPAC1-[(5-chloro-2-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-ol
SMILESCOc1ccc(Cl)cc1CC1(O)CCC(C)CC1C
InChIInChI=1S/C16H23ClO2/c1-11-6-7-16(18,12(2)8-11)10-13-9-14(17)4-5-15(13)19-3/h4-5,9,11-12,18H,6-8,10H2,1-3H3
InChIKeyUJJKEJWZAOYXAD-UHFFFAOYSA-N
MW282.81 g/mol
LogP4.08
Rot. Bonds3

About 1-[(5-chloro-2-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-ol

1-[(5-chloro-2-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-ol (PubChem CID 65153588) has the molecular formula C16H23ClO2 and a molecular weight of 282.81 g/mol. Its IUPAC name is 1-[(5-chloro-2-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(5-chloro-2-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-ol
PubChem CID65153588
Molecular FormulaC16H23ClO2
Molecular Weight282.81 g/mol
Exact Mass282.14
IUPAC Name1-[(5-chloro-2-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-ol
SMILESCOc1ccc(Cl)cc1CC1(O)CCC(C)CC1C
InChIInChI=1S/C16H23ClO2/c1-11-6-7-16(18,12(2)8-11)10-13-9-14(17)4-5-15(13)19-3/h4-5,9,11-12,18H,6-8,10H2,1-3H3
InChIKeyUJJKEJWZAOYXAD-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-chloro-2-methoxyphenyl)methyl]-2-methylcyclopentan-1-ol
CID 65154299
1-[(5-chloro-2-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-ol
CID 103047644
2-tert-butyl-1-[(5-chloro-2-methoxyphenyl)methyl]cyclohexan-1-ol
CID 65147543
1-[(5-chloro-2-methoxyphenyl)methyl]-3-methoxycyclobutan-1-ol
CID 106823676
4-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]-1-methoxybenzene
CID 66034885
[1-[(5-chloro-2-methoxyphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 62552157
1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(5-chloro-2-methoxyphenyl)ethanone
CID 116603995
4-[(5-chloro-2-methoxyphenyl)methyl]-3-ethylpiperidin-4-ol
CID 114510368
4-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 65146901
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclopropyl]methyl]cyclopropanamine
CID 66023806
3-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpyrrolidin-3-ol
CID 65147101
2-(bromomethyl)-2-[(5-chloro-2-methoxyphenyl)methyl]bicyclo[2.2.1]heptane
CID 66047756

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[(5-chloro-2-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-ol (CID 65153588) is 1-[(5-chloro-2-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(5-chloro-2-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[(5-chloro-2-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-ol is COc1ccc(Cl)cc1CC1(O)CCC(C)CC1C.
What is the InChIKey of 1-[(5-chloro-2-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-ol?
The InChIKey is UJJKEJWZAOYXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClO2/c1-11-6-7-16(18,12(2)8-11)10-13-9-14(17)4-5-15(13)19-3/h4-5,9,11-12,18H,6-8,10H2,1-3H3.
What are the key properties of 1-[(5-chloro-2-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-ol?
1-[(5-chloro-2-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-ol has a molecular weight of 282.81 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 65153588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).