2-tert-butyl-1-(3-methoxyphenyl)cyclohexan-1-ol

C17H26O2 — CID 60794931

IUPAC2-tert-butyl-1-(3-methoxyphenyl)cyclohexan-1-ol
SMILESCOc1cccc(C2(O)CCCCC2C(C)(C)C)c1
InChIInChI=1S/C17H26O2/c1-16(2,3)15-10-5-6-11-17(15,18)13-8-7-9-14(12-13)19-4/h7-9,12,15,18H,5-6,10-11H2,1-4H3
InChIKeyGTZYDWFAFRVGDD-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.12
Rot. Bonds2

About 2-tert-butyl-1-(3-methoxyphenyl)cyclohexan-1-ol

2-tert-butyl-1-(3-methoxyphenyl)cyclohexan-1-ol (PubChem CID 60794931) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-tert-butyl-1-(3-methoxyphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-tert-butyl-1-(3-methoxyphenyl)cyclohexan-1-ol
PubChem CID60794931
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name2-tert-butyl-1-(3-methoxyphenyl)cyclohexan-1-ol
SMILESCOc1cccc(C2(O)CCCCC2C(C)(C)C)c1
InChIInChI=1S/C17H26O2/c1-16(2,3)15-10-5-6-11-17(15,18)13-8-7-9-14(12-13)19-4/h7-9,12,15,18H,5-6,10-11H2,1-4H3
InChIKeyGTZYDWFAFRVGDD-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-tert-butyl-1-(3-methoxyphenyl)cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1S,2S)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;hydrochloride
CID 10017651
[(1S,2R)-2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]methyl-trimethylazanium
CID 7083191
trans-(1R,2S)-1-(3-methoxyphenyl)-2-methylcyclopentan-1-ol
CID 124509188
[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]methyl-trimethylazanium iodide
CID 163331114
1-[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanamine oxide
CID 22016064
2-(azepan-1-ylmethyl)-1-(3-methoxyphenyl)cycloheptan-1-ol
CID 68801883
bis(cis-(1S,2S)-2-[[bis(trideuteriomethyl)amino]methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol);hydrochloride
CID 160528339
ethyl-[[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]methyl]-dimethylazanium iodide
CID 44662031
cis-(1R,2S)-1-(3-methoxyphenyl)-2-(methylamino)cyclopentan-1-ol
CID 57265905
1-(3-methoxyphenyl)-2-morpholin-4-ylcyclohexan-1-ol
CID 3056591
(1R)-2-[(dibenzylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;hydrobromide
CID 155890264
3-[2-(2-aminopropan-2-yl)-1-hydroxycyclohexyl]phenol
CID 21121346

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(3-methoxyphenyl)cyclohexan-1-ol?
The IUPAC name of 2-tert-butyl-1-(3-methoxyphenyl)cyclohexan-1-ol (CID 60794931) is 2-tert-butyl-1-(3-methoxyphenyl)cyclohexan-1-ol.
What is the SMILES notation for 2-tert-butyl-1-(3-methoxyphenyl)cyclohexan-1-ol?
The canonical SMILES for 2-tert-butyl-1-(3-methoxyphenyl)cyclohexan-1-ol is COc1cccc(C2(O)CCCCC2C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-1-(3-methoxyphenyl)cyclohexan-1-ol?
The InChIKey is GTZYDWFAFRVGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-16(2,3)15-10-5-6-11-17(15,18)13-8-7-9-14(12-13)19-4/h7-9,12,15,18H,5-6,10-11H2,1-4H3.
What are the key properties of 2-tert-butyl-1-(3-methoxyphenyl)cyclohexan-1-ol?
2-tert-butyl-1-(3-methoxyphenyl)cyclohexan-1-ol has a molecular weight of 262.39 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(3-methoxyphenyl)cyclohexan-1-ol is sourced from PubChem (CID 60794931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).