1-[(4-tert-butylphenyl)methyl]-2,3-dimethylcyclohexan-1-ol

C19H30O — CID 65154331

IUPAC1-[(4-tert-butylphenyl)methyl]-2,3-dimethylcyclohexan-1-ol
SMILESCC1CCCC(O)(Cc2ccc(C(C)(C)C)cc2)C1C
InChIInChI=1S/C19H30O/c1-14-7-6-12-19(20,15(14)2)13-16-8-10-17(11-9-16)18(3,4)5/h8-11,14-15,20H,6-7,12-13H2,1-5H3
InChIKeyDFDSIGOYTLJNOA-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.71
Rot. Bonds2

About 1-[(4-tert-butylphenyl)methyl]-2,3-dimethylcyclohexan-1-ol

1-[(4-tert-butylphenyl)methyl]-2,3-dimethylcyclohexan-1-ol (PubChem CID 65154331) has the molecular formula C19H30O and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-[(4-tert-butylphenyl)methyl]-2,3-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(4-tert-butylphenyl)methyl]-2,3-dimethylcyclohexan-1-ol
PubChem CID65154331
Molecular FormulaC19H30O
Molecular Weight274.45 g/mol
Exact Mass274.23
IUPAC Name1-[(4-tert-butylphenyl)methyl]-2,3-dimethylcyclohexan-1-ol
SMILESCC1CCCC(O)(Cc2ccc(C(C)(C)C)cc2)C1C
InChIInChI=1S/C19H30O/c1-14-7-6-12-19(20,15(14)2)13-16-8-10-17(11-9-16)18(3,4)5/h8-11,14-15,20H,6-7,12-13H2,1-5H3
InChIKeyDFDSIGOYTLJNOA-UHFFFAOYSA-N
XLogP4.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
CID 65153585
1-benzyl-2,3-dimethylcyclohexan-1-ol
CID 64754174
1-[(4-tert-butylphenyl)methyl]-3-methoxycyclohexan-1-ol
CID 106874139
1-[(4-tert-butylphenyl)methyl]cycloheptan-1-ol
CID 65147243
1-[(2,6-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-ol
CID 65153745
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-ol
CID 79820634
[1-[(4-tert-butylphenyl)methyl]cyclopentyl]methanol
CID 66026781
1-[(tert-butylamino)methyl]-2,3-dimethylcyclohexan-1-ol
CID 64756468
1-(3,3-dimethylbutyl)-2,3-dimethylcyclohexan-1-ol
CID 65154010
1-[(5-bromo-2-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-ol
CID 65154386
N-[[1-[(4-tert-butylphenyl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194218
1-[(4-ethylphenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 64775391

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylphenyl)methyl]-2,3-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[(4-tert-butylphenyl)methyl]-2,3-dimethylcyclohexan-1-ol (CID 65154331) is 1-[(4-tert-butylphenyl)methyl]-2,3-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(4-tert-butylphenyl)methyl]-2,3-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[(4-tert-butylphenyl)methyl]-2,3-dimethylcyclohexan-1-ol is CC1CCCC(O)(Cc2ccc(C(C)(C)C)cc2)C1C.
What is the InChIKey of 1-[(4-tert-butylphenyl)methyl]-2,3-dimethylcyclohexan-1-ol?
The InChIKey is DFDSIGOYTLJNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O/c1-14-7-6-12-19(20,15(14)2)13-16-8-10-17(11-9-16)18(3,4)5/h8-11,14-15,20H,6-7,12-13H2,1-5H3.
What are the key properties of 1-[(4-tert-butylphenyl)methyl]-2,3-dimethylcyclohexan-1-ol?
1-[(4-tert-butylphenyl)methyl]-2,3-dimethylcyclohexan-1-ol has a molecular weight of 274.45 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylphenyl)methyl]-2,3-dimethylcyclohexan-1-ol is sourced from PubChem (CID 65154331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).