(4-tert-butylcyclohexyl)-(3-methylphenyl)methanol

C18H28O — CID 65400122

IUPAC(4-tert-butylcyclohexyl)-(3-methylphenyl)methanol
SMILESCc1cccc(C(O)C2CCC(C(C)(C)C)CC2)c1
InChIInChI=1S/C18H28O/c1-13-6-5-7-15(12-13)17(19)14-8-10-16(11-9-14)18(2,3)4/h5-7,12,14,16-17,19H,8-11H2,1-4H3
InChIKeyMTPMVJYADZKSMR-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.88
Rot. Bonds2

About (4-tert-butylcyclohexyl)-(3-methylphenyl)methanol

(4-tert-butylcyclohexyl)-(3-methylphenyl)methanol (PubChem CID 65400122) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is (4-tert-butylcyclohexyl)-(3-methylphenyl)methanol.

Molecular Properties

Compound Name(4-tert-butylcyclohexyl)-(3-methylphenyl)methanol
PubChem CID65400122
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name(4-tert-butylcyclohexyl)-(3-methylphenyl)methanol
SMILESCc1cccc(C(O)C2CCC(C(C)(C)C)CC2)c1
InChIInChI=1S/C18H28O/c1-13-6-5-7-15(12-13)17(19)14-8-10-16(11-9-14)18(2,3)4/h5-7,12,14,16-17,19H,8-11H2,1-4H3
InChIKeyMTPMVJYADZKSMR-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

(4-butylcyclohexyl)-(3-methylphenyl)methanol
CID 114978020
(3,4-dimethylcyclohexyl)-(3-methylphenyl)methanol
CID 64739613
(4-tert-butylcyclohexyl)-(2-methylphenyl)methanol
CID 65403189
2-(1-cyclopropylethylamino)-1-(3-methylphenyl)ethanol
CID 115894712
(S)-cyclopropyl-(3-methylphenyl)methanamine;hydrochloride
CID 171229489
4-tert-butyl-1-[2-hydroxy-2-(3-methylphenyl)ethyl]pyrrolidin-2-one
CID 104512641
(4-tert-butylcyclohexyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 63426478
1-[2-bromo-2-(4-tert-butylcyclohexyl)ethyl]-3-methylbenzene
CID 63530422
1-(4-tert-butylcyclohexyl)-2-(3-methylphenyl)ethanamine
CID 63527430
(R)-(3-methylphenyl)-[(2R)-oxiran-2-yl]methanol
CID 130810989
2-cyclopropyl-2-(3-methylphenyl)ethanol
CID 104819581
(3-cyclobutylphenyl)-cyclopropylmethanol
CID 114601273

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylcyclohexyl)-(3-methylphenyl)methanol?
The IUPAC name of (4-tert-butylcyclohexyl)-(3-methylphenyl)methanol (CID 65400122) is (4-tert-butylcyclohexyl)-(3-methylphenyl)methanol.
What is the SMILES notation for (4-tert-butylcyclohexyl)-(3-methylphenyl)methanol?
The canonical SMILES for (4-tert-butylcyclohexyl)-(3-methylphenyl)methanol is Cc1cccc(C(O)C2CCC(C(C)(C)C)CC2)c1.
What is the InChIKey of (4-tert-butylcyclohexyl)-(3-methylphenyl)methanol?
The InChIKey is MTPMVJYADZKSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-13-6-5-7-15(12-13)17(19)14-8-10-16(11-9-14)18(2,3)4/h5-7,12,14,16-17,19H,8-11H2,1-4H3.
What are the key properties of (4-tert-butylcyclohexyl)-(3-methylphenyl)methanol?
(4-tert-butylcyclohexyl)-(3-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)-(3-methylphenyl)methanol is sourced from PubChem (CID 65400122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).