2,2-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-ol

C18H28O — CID 116542681

IUPAC2,2-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-ol
SMILESCC(C)Cc1cccc(C2(O)CCCCC2(C)C)c1
InChIInChI=1S/C18H28O/c1-14(2)12-15-8-7-9-16(13-15)18(19)11-6-5-10-17(18,3)4/h7-9,13-14,19H,5-6,10-12H2,1-4H3
InChIKeyOACSWZHIXHLLTF-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.67
Rot. Bonds3

About 2,2-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-ol

2,2-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-ol (PubChem CID 116542681) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 2,2-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-ol
PubChem CID116542681
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name2,2-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-ol
SMILESCC(C)Cc1cccc(C2(O)CCCCC2(C)C)c1
InChIInChI=1S/C18H28O/c1-14(2)12-15-8-7-9-16(13-15)18(19)11-6-5-10-17(18,3)4/h7-9,13-14,19H,5-6,10-12H2,1-4H3
InChIKeyOACSWZHIXHLLTF-UHFFFAOYSA-N
XLogP4.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[3-(2-methylpropyl)phenyl]piperidin-3-ol
CID 116542352
1-[hydroxy-[3-(2-methylpropyl)phenyl]methyl]cyclohexan-1-ol
CID 103451727
2-methyl-1-[3-(2-methylpropyl)phenyl]cyclopentan-1-ol
CID 116542606
4,4-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-amine
CID 116543004
1-(3-ethoxyphenyl)-2,2-dimethylcyclohexan-1-ol;hydrochloride
CID 67640778
4-[3-(2-methylpropyl)phenyl]-1-propylpiperidin-4-ol
CID 116542318
4-[3-(2-methylpropyl)phenyl]-1-propan-2-ylazepan-4-ol
CID 116542614
(1-hydroxycycloheptyl)-[3-(2-methylpropyl)phenyl]methanone
CID 103450378
4-methoxy-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-ol
CID 116542858
3-methoxy-1-[3-(2-methylpropyl)phenyl]cyclobutan-1-ol
CID 106823598
2-[3-(2-methylpropyl)phenyl]-1,3-dihydroinden-2-amine
CID 116542927
2,2-dimethyl-1-(4-phenylphenyl)cyclohexan-1-ol
CID 79841974

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-ol?
The IUPAC name of 2,2-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-ol (CID 116542681) is 2,2-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-ol is CC(C)Cc1cccc(C2(O)CCCCC2(C)C)c1.
What is the InChIKey of 2,2-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-ol?
The InChIKey is OACSWZHIXHLLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-14(2)12-15-8-7-9-16(13-15)18(19)11-6-5-10-17(18,3)4/h7-9,13-14,19H,5-6,10-12H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-ol?
2,2-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-ol has a molecular weight of 260.42 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-ol is sourced from PubChem (CID 116542681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).