3-tert-butyl-1-methylcyclohexan-1-ol;chlorobenzene

C17H27ClO — CID 165136328

IUPAC3-tert-butyl-1-methylcyclohexan-1-ol;chlorobenzene
SMILESCC1(O)CCCC(C(C)(C)C)C1.Clc1ccccc1
InChIInChI=1S/C11H22O.C6H5Cl/c1-10(2,3)9-6-5-7-11(4,12)8-9;7-6-4-2-1-3-5-6/h9,12H,5-8H2,1-4H3;1-5H
InChIKeyWHJNQVILOJDQJQ-UHFFFAOYSA-N
MW282.85 g/mol
LogP5.31
Rot. Bonds

About 3-tert-butyl-1-methylcyclohexan-1-ol;chlorobenzene

3-tert-butyl-1-methylcyclohexan-1-ol;chlorobenzene (PubChem CID 165136328) has the molecular formula C17H27ClO and a molecular weight of 282.85 g/mol. Its IUPAC name is 3-tert-butyl-1-methylcyclohexan-1-ol;chlorobenzene.

Molecular Properties

Compound Name3-tert-butyl-1-methylcyclohexan-1-ol;chlorobenzene
PubChem CID165136328
Molecular FormulaC17H27ClO
Molecular Weight282.85 g/mol
Exact Mass282.18
IUPAC Name3-tert-butyl-1-methylcyclohexan-1-ol;chlorobenzene
SMILESCC1(O)CCCC(C(C)(C)C)C1.Clc1ccccc1
InChIInChI=1S/C11H22O.C6H5Cl/c1-10(2,3)9-6-5-7-11(4,12)8-9;7-6-4-2-1-3-5-6/h9,12H,5-8H2,1-4H3;1-5H
InChIKeyWHJNQVILOJDQJQ-UHFFFAOYSA-N
XLogP5.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.85
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-tert-butyl-1-methylcyclohexan-1-ol;chlorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-tert-butyl-1-methylcyclohexan-1-ol
CID 58395164
4-tert-butyl-1-[(2,6-dichlorophenyl)methyl]cycloheptan-1-ol
CID 65151667
1-methyl-2-phenylcyclopentan-1-ol
CID 102035822
4-tert-butyl-1-[(4-chloro-2-fluorophenyl)methyl]cycloheptan-1-ol
CID 114852298
4-tert-butyl-1-(3-phenylpropyl)cycloheptan-1-ol
CID 65151218
3-tert-butyl-1-diphenylsilyloxycyclopentan-1-ol
CID 173251163
(9-tert-butyl-4-oxospiro[4.5]decan-3-yl) benzoate
CID 102504833
3-[[4-(4-chlorophenyl)phthalazin-1-yl]amino]-1-methylcyclohexan-1-ol
CID 169230251
(1-anilino-4-tert-butylcycloheptyl)methanol
CID 65094624
1-anilino-4-tert-butylcycloheptane-1-carboxylic acid
CID 65095079
chlorobenzene;methanol
CID 20549646
1-(3-chlorophenyl)-1-cyclohexylethanol
CID 43810110

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methylcyclohexan-1-ol;chlorobenzene?
The IUPAC name of 3-tert-butyl-1-methylcyclohexan-1-ol;chlorobenzene (CID 165136328) is 3-tert-butyl-1-methylcyclohexan-1-ol;chlorobenzene.
What is the SMILES notation for 3-tert-butyl-1-methylcyclohexan-1-ol;chlorobenzene?
The canonical SMILES for 3-tert-butyl-1-methylcyclohexan-1-ol;chlorobenzene is CC1(O)CCCC(C(C)(C)C)C1.Clc1ccccc1.
What is the InChIKey of 3-tert-butyl-1-methylcyclohexan-1-ol;chlorobenzene?
The InChIKey is WHJNQVILOJDQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O.C6H5Cl/c1-10(2,3)9-6-5-7-11(4,12)8-9;7-6-4-2-1-3-5-6/h9,12H,5-8H2,1-4H3;1-5H.
What are the key properties of 3-tert-butyl-1-methylcyclohexan-1-ol;chlorobenzene?
3-tert-butyl-1-methylcyclohexan-1-ol;chlorobenzene has a molecular weight of 282.85 g/mol, XLogP of 5.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-methylcyclohexan-1-ol;chlorobenzene is sourced from PubChem (CID 165136328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).