1-(4-tert-butylphenyl)-3,5-dimethylcyclohexan-1-ol

C18H28O — CID 64735152

IUPAC1-(4-tert-butylphenyl)-3,5-dimethylcyclohexan-1-ol
SMILESCC1CC(C)CC(O)(c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C18H28O/c1-13-10-14(2)12-18(19,11-13)16-8-6-15(7-9-16)17(3,4)5/h6-9,13-14,19H,10-12H2,1-5H3
InChIKeyZADSJMYEVOINRI-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.63
Rot. Bonds1

About 1-(4-tert-butylphenyl)-3,5-dimethylcyclohexan-1-ol

1-(4-tert-butylphenyl)-3,5-dimethylcyclohexan-1-ol (PubChem CID 64735152) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3,5-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3,5-dimethylcyclohexan-1-ol
PubChem CID64735152
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name1-(4-tert-butylphenyl)-3,5-dimethylcyclohexan-1-ol
SMILESCC1CC(C)CC(O)(c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C18H28O/c1-13-10-14(2)12-18(19,11-13)16-8-6-15(7-9-16)17(3,4)5/h6-9,13-14,19H,10-12H2,1-5H3
InChIKeyZADSJMYEVOINRI-UHFFFAOYSA-N
XLogP4.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-tert-butylphenyl)-4-methylcyclohexan-1-ol
CID 63408801
3,5-dimethyl-1-(4-propoxyphenyl)cyclohexan-1-ol
CID 64734777
1-(3-fluorophenyl)-3,5-dimethylcyclohexan-1-ol
CID 64735546
1-(4-tert-butylphenyl)-2,4,4-trimethylcyclohexan-1-ol
CID 81313765
1-tert-butyl-4-[1-(4-tert-butylphenyl)-3,3,5-trimethylcyclohexyl]benzene
CID 140618544
1-(4-tert-butylphenyl)-3-methylcyclopentan-1-amine
CID 64513866
3-(4-tert-butylphenyl)-2-methyloxolan-3-ol
CID 82717330
1-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]adamantane
CID 170924975
1-(3-cyclobutylphenyl)-3,5-dimethylcyclohexan-1-ol
CID 114601365
(3,3,5-trimethylcyclohexyl) 4-tert-butylbenzenecarboperoxoate
CID 173265224
4-tert-butyl-N-(3-methylcyclobutyl)aniline
CID 103560717
5-tert-butyl-6,6-bis(4-tert-butylphenyl)-3-methylbicyclo[2.1.1]hexa-1,4-diene
CID 173090765

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3,5-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(4-tert-butylphenyl)-3,5-dimethylcyclohexan-1-ol (CID 64735152) is 1-(4-tert-butylphenyl)-3,5-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3,5-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(4-tert-butylphenyl)-3,5-dimethylcyclohexan-1-ol is CC1CC(C)CC(O)(c2ccc(C(C)(C)C)cc2)C1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3,5-dimethylcyclohexan-1-ol?
The InChIKey is ZADSJMYEVOINRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-13-10-14(2)12-18(19,11-13)16-8-6-15(7-9-16)17(3,4)5/h6-9,13-14,19H,10-12H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-3,5-dimethylcyclohexan-1-ol?
1-(4-tert-butylphenyl)-3,5-dimethylcyclohexan-1-ol has a molecular weight of 260.42 g/mol, XLogP of 4.63, 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)-3,5-dimethylcyclohexan-1-ol is sourced from PubChem (CID 64735152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).