1-(4-tert-butylphenyl)-4-methylcyclohexan-1-ol

C17H26O — CID 63408801

IUPAC1-(4-tert-butylphenyl)-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C17H26O/c1-13-9-11-17(18,12-10-13)15-7-5-14(6-8-15)16(2,3)4/h5-8,13,18H,9-12H2,1-4H3
InChIKeyWOWFQIMQOBWTDU-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.38
Rot. Bonds1

About 1-(4-tert-butylphenyl)-4-methylcyclohexan-1-ol

1-(4-tert-butylphenyl)-4-methylcyclohexan-1-ol (PubChem CID 63408801) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-4-methylcyclohexan-1-ol
PubChem CID63408801
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name1-(4-tert-butylphenyl)-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C17H26O/c1-13-9-11-17(18,12-10-13)15-7-5-14(6-8-15)16(2,3)4/h5-8,13,18H,9-12H2,1-4H3
InChIKeyWOWFQIMQOBWTDU-UHFFFAOYSA-N
XLogP4.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-tert-butylphenyl)-3,5-dimethylcyclohexan-1-ol
CID 64735152
1-(4-ethoxyphenyl)-4-methylcyclohexan-1-ol
CID 62788999
1-(4-tert-butylphenyl)-3-methylcyclopentan-1-amine
CID 64513866
1-(4-ethylphenyl)-4-methylcycloheptan-1-ol
CID 65085121
4-methyl-1-naphthalen-2-ylcyclohexan-1-ol
CID 55115883
1-(4-chloro-3-fluorophenyl)-4-methylcyclohexan-1-ol
CID 143626038
1-(3,4-difluorophenyl)-4-methylcycloheptan-1-ol
CID 65084915
3-(4-tert-butylphenyl)-2-methyloxolan-3-ol
CID 82717330
1-(4-tert-butylphenyl)-2-methylcyclobutan-1-amine
CID 66431561
1-(4-tert-butylphenyl)-2,4,4-trimethylcyclohexan-1-ol
CID 81313765
4-tert-butyl-1-(4-methoxyphenyl)cycloheptan-1-ol
CID 65094719
[1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylphenyl)methanol
CID 79126348

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-4-methylcyclohexan-1-ol?
The IUPAC name of 1-(4-tert-butylphenyl)-4-methylcyclohexan-1-ol (CID 63408801) is 1-(4-tert-butylphenyl)-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-(4-tert-butylphenyl)-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-(4-tert-butylphenyl)-4-methylcyclohexan-1-ol is CC1CCC(O)(c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 1-(4-tert-butylphenyl)-4-methylcyclohexan-1-ol?
The InChIKey is WOWFQIMQOBWTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-13-9-11-17(18,12-10-13)15-7-5-14(6-8-15)16(2,3)4/h5-8,13,18H,9-12H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-4-methylcyclohexan-1-ol?
1-(4-tert-butylphenyl)-4-methylcyclohexan-1-ol has a molecular weight of 246.39 g/mol, XLogP of 4.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-4-methylcyclohexan-1-ol is sourced from PubChem (CID 63408801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).