(4-tert-butylcyclohexyl)-(2-methylphenyl)methanol

C18H28O — CID 65403189

IUPAC(4-tert-butylcyclohexyl)-(2-methylphenyl)methanol
SMILESCc1ccccc1C(O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H28O/c1-13-7-5-6-8-16(13)17(19)14-9-11-15(12-10-14)18(2,3)4/h5-8,14-15,17,19H,9-12H2,1-4H3
InChIKeyHTULTKKLFXWMAI-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.88
Rot. Bonds2

About (4-tert-butylcyclohexyl)-(2-methylphenyl)methanol

(4-tert-butylcyclohexyl)-(2-methylphenyl)methanol (PubChem CID 65403189) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is (4-tert-butylcyclohexyl)-(2-methylphenyl)methanol.

Molecular Properties

Compound Name(4-tert-butylcyclohexyl)-(2-methylphenyl)methanol
PubChem CID65403189
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name(4-tert-butylcyclohexyl)-(2-methylphenyl)methanol
SMILESCc1ccccc1C(O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H28O/c1-13-7-5-6-8-16(13)17(19)14-9-11-15(12-10-14)18(2,3)4/h5-8,14-15,17,19H,9-12H2,1-4H3
InChIKeyHTULTKKLFXWMAI-UHFFFAOYSA-N
XLogP4.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-cyclopentyl-(2-methylphenyl)methanol
CID 93312335
(4-tert-butylcyclohexyl)-(2-methylphenyl)methanamine
CID 65402354
(3-bromo-2-fluorophenyl)-(4-tert-butylcyclohexyl)methanol
CID 106644575
(2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 105091992
(4-tert-butylcyclohexyl)-(3-methylphenyl)methanol
CID 65400122
(2,3-dimethylphenyl)-(4-propan-2-ylcyclohexyl)methanol
CID 65424313
(4-tert-butylcyclohexyl)-(2-chloro-4-fluoro-5-methylphenyl)methanol
CID 81050009
(4-tert-butylcyclohexyl)-(2-chloro-4,5-difluorophenyl)methanol
CID 107477167
(4-methyl-3-pyridinyl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 105110904
(R)-(2-methylcyclopentyl)-(2-methylphenyl)methanol
CID 59207162
cyclopentyl-(2-fluoro-3-methylphenyl)methanol
CID 115840644
[(4-tert-butylcyclohexyl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105232736

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylcyclohexyl)-(2-methylphenyl)methanol?
The IUPAC name of (4-tert-butylcyclohexyl)-(2-methylphenyl)methanol (CID 65403189) is (4-tert-butylcyclohexyl)-(2-methylphenyl)methanol.
What is the SMILES notation for (4-tert-butylcyclohexyl)-(2-methylphenyl)methanol?
The canonical SMILES for (4-tert-butylcyclohexyl)-(2-methylphenyl)methanol is Cc1ccccc1C(O)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of (4-tert-butylcyclohexyl)-(2-methylphenyl)methanol?
The InChIKey is HTULTKKLFXWMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-13-7-5-6-8-16(13)17(19)14-9-11-15(12-10-14)18(2,3)4/h5-8,14-15,17,19H,9-12H2,1-4H3.
What are the key properties of (4-tert-butylcyclohexyl)-(2-methylphenyl)methanol?
(4-tert-butylcyclohexyl)-(2-methylphenyl)methanol has a molecular weight of 260.42 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclohexyl)-(2-methylphenyl)methanol is sourced from PubChem (CID 65403189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).