1-(2-methoxy-4,6-dimethylphenyl)-3,4-dimethylcyclohexan-1-ol

C17H26O2 — CID 106679635

IUPAC1-(2-methoxy-4,6-dimethylphenyl)-3,4-dimethylcyclohexan-1-ol
SMILESCOc1cc(C)cc(C)c1C1(O)CCC(C)C(C)C1
InChIInChI=1S/C17H26O2/c1-11-8-13(3)16(15(9-11)19-5)17(18)7-6-12(2)14(4)10-17/h8-9,12,14,18H,6-7,10H2,1-5H3
InChIKeyISXPFXIMEMJKDT-UHFFFAOYSA-N
MW262.39 g/mol
LogP3.96
Rot. Bonds2

About 1-(2-methoxy-4,6-dimethylphenyl)-3,4-dimethylcyclohexan-1-ol

1-(2-methoxy-4,6-dimethylphenyl)-3,4-dimethylcyclohexan-1-ol (PubChem CID 106679635) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1-(2-methoxy-4,6-dimethylphenyl)-3,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-methoxy-4,6-dimethylphenyl)-3,4-dimethylcyclohexan-1-ol
PubChem CID106679635
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name1-(2-methoxy-4,6-dimethylphenyl)-3,4-dimethylcyclohexan-1-ol
SMILESCOc1cc(C)cc(C)c1C1(O)CCC(C)C(C)C1
InChIInChI=1S/C17H26O2/c1-11-8-13(3)16(15(9-11)19-5)17(18)7-6-12(2)14(4)10-17/h8-9,12,14,18H,6-7,10H2,1-5H3
InChIKeyISXPFXIMEMJKDT-UHFFFAOYSA-N
XLogP3.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-4,6-dimethylphenyl)-3,4-dimethylcyclohexan-1-amine
CID 106679860
1-(2-methoxy-4,6-dimethylphenyl)-2,3-dimethylcyclohexan-1-ol
CID 106679636
1-(2-methoxy-4,6-dimethylphenyl)-4-(propylamino)cyclohexan-1-ol
CID 106681534
1-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethylcyclopentan-1-ol
CID 106679681
1-(3-methoxy-2-pyridinyl)-3,4-dimethylcyclohexan-1-ol
CID 114053631
3-(2-methoxy-4,6-dimethylphenyl)-1-methylpiperidin-3-ol
CID 106679716
1-(2-methoxy-4,6-dimethylphenyl)-4-methylcycloheptan-1-amine
CID 106679866
3,4-dimethyl-1-(5-methyl-3-pyridinyl)cyclohexan-1-ol
CID 115373730
1-(2,3-dimethylphenyl)-3,4-dimethylcyclohexan-1-ol
CID 64746667
methyl 1-(2-methoxy-4,6-dimethylphenyl)cyclopropane-1-carboxylate
CID 116964011
3-fluoro-3-(2-methoxy-4,6-dimethylphenyl)-8-azabicyclo[3.2.1]octane
CID 106681655
cyclopropyl-(2-methoxy-4,6-dimethylphenyl)methanone
CID 82491880

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)-3,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)-3,4-dimethylcyclohexan-1-ol (CID 106679635) is 1-(2-methoxy-4,6-dimethylphenyl)-3,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(2-methoxy-4,6-dimethylphenyl)-3,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(2-methoxy-4,6-dimethylphenyl)-3,4-dimethylcyclohexan-1-ol is COc1cc(C)cc(C)c1C1(O)CCC(C)C(C)C1.
What is the InChIKey of 1-(2-methoxy-4,6-dimethylphenyl)-3,4-dimethylcyclohexan-1-ol?
The InChIKey is ISXPFXIMEMJKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-11-8-13(3)16(15(9-11)19-5)17(18)7-6-12(2)14(4)10-17/h8-9,12,14,18H,6-7,10H2,1-5H3.
What are the key properties of 1-(2-methoxy-4,6-dimethylphenyl)-3,4-dimethylcyclohexan-1-ol?
1-(2-methoxy-4,6-dimethylphenyl)-3,4-dimethylcyclohexan-1-ol has a molecular weight of 262.39 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4,6-dimethylphenyl)-3,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 106679635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).