2-tert-butyl-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol

C19H30O — CID 63407081

IUPAC2-tert-butyl-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol
SMILESCc1ccc(C)c(CC2(O)CCCCC2C(C)(C)C)c1
InChIInChI=1S/C19H30O/c1-14-9-10-15(2)16(12-14)13-19(20)11-7-6-8-17(19)18(3,4)5/h9-10,12,17,20H,6-8,11,13H2,1-5H3
InChIKeyHAOLPCFWDGWISH-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.81
Rot. Bonds2

About 2-tert-butyl-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol

2-tert-butyl-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol (PubChem CID 63407081) has the molecular formula C19H30O and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-tert-butyl-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-tert-butyl-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol
PubChem CID63407081
Molecular FormulaC19H30O
Molecular Weight274.45 g/mol
Exact Mass274.23
IUPAC Name2-tert-butyl-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol
SMILESCc1ccc(C)c(CC2(O)CCCCC2C(C)(C)C)c1
InChIInChI=1S/C19H30O/c1-14-9-10-15(2)16(12-14)13-19(20)11-7-6-8-17(19)18(3,4)5/h9-10,12,17,20H,6-8,11,13H2,1-5H3
InChIKeyHAOLPCFWDGWISH-UHFFFAOYSA-N
XLogP4.81
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 ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-1-[(5-chloro-2-methoxyphenyl)methyl]cyclohexan-1-ol
CID 65147543
2-tert-butyl-1-[(3,5-difluorophenyl)methyl]cyclohexan-1-ol
CID 105402426
1-[(2,5-dimethylphenyl)methyl]-4-methylcyclohexan-1-ol
CID 54958001
8-[(2,5-dimethylphenyl)methyl]spiro[4.5]decan-8-ol
CID 114819189
1-[(2,5-dimethylphenyl)methyl]-2-methylcyclohexan-1-amine
CID 54958154
[1-[(2,5-dimethylphenyl)methyl]cyclopentyl]methanamine
CID 62725292
2-tert-butyl-1-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine
CID 105373066
2-[[1-(bromomethyl)cyclohexyl]methyl]-1,4-dimethylbenzene
CID 66050873
1-[(2,5-dimethylphenyl)methyl]-4,4-dimethylcycloheptan-1-ol
CID 65085641
3-amino-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol
CID 80561179
1-[(2-chloro-4-methylphenyl)methyl]-2-methylcyclohexan-1-ol
CID 106866029
2-tert-butyl-1-(2-fluoro-5-methylphenyl)cyclohexan-1-ol
CID 55186000

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol?
The IUPAC name of 2-tert-butyl-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol (CID 63407081) is 2-tert-butyl-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-tert-butyl-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-tert-butyl-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol is Cc1ccc(C)c(CC2(O)CCCCC2C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol?
The InChIKey is HAOLPCFWDGWISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O/c1-14-9-10-15(2)16(12-14)13-19(20)11-7-6-8-17(19)18(3,4)5/h9-10,12,17,20H,6-8,11,13H2,1-5H3.
What are the key properties of 2-tert-butyl-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol?
2-tert-butyl-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol has a molecular weight of 274.45 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 63407081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).