chloroform;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol

C17H25Cl3O — CID 70236087

IUPACchloroform;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
SMILESCC1CCC(C(C)(C)c2ccccc2)C(O)C1.ClC(Cl)Cl
InChIInChI=1S/C16H24O.CHCl3/c1-12-9-10-14(15(17)11-12)16(2,3)13-7-5-4-6-8-13;2-1(3)4/h4-8,12,14-15,17H,9-11H2,1-3H3;1H
InChIKeyZCWDJWSHKBANAF-UHFFFAOYSA-N
MW351.75 g/mol
LogP5.75
Rot. Bonds2

About chloroform;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol

chloroform;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol (PubChem CID 70236087) has the molecular formula C17H25Cl3O and a molecular weight of 351.75 g/mol. Its IUPAC name is chloroform;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Namechloroform;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
PubChem CID70236087
Molecular FormulaC17H25Cl3O
Molecular Weight351.75 g/mol
Exact Mass350.10
IUPAC Namechloroform;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
SMILESCC1CCC(C(C)(C)c2ccccc2)C(O)C1.ClC(Cl)Cl
InChIInChI=1S/C16H24O.CHCl3/c1-12-9-10-14(15(17)11-12)16(2,3)13-7-5-4-6-8-13;2-1(3)4/h4-8,12,14-15,17H,9-11H2,1-3H3;1H
InChIKeyZCWDJWSHKBANAF-UHFFFAOYSA-N
XLogP5.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.75
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(1S,2R,5S)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
CID 12860618
(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol;hydrate
CID 174940939
carbonochloridic acid;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
CID 86756445
2-[(1R,2R,4R)-2,4-dimethylcyclohexyl]propan-2-ylbenzene
CID 134964067
2-(2,4-dimethylcyclohexyl)propan-2-ylbenzene
CID 134857032
2-[(1S,2S,4R)-2-bromo-4-methylcyclohexyl]propan-2-ylbenzene
CID 46737239
(1S,2R,5S)-2-[2-(4-methoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-ol
CID 134769173
2-(2,5-dimethylcyclohexyl)propan-2-ylbenzene
CID 154060563
[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-chloro-3-oxobutanoate
CID 10736626
2-[2-(3-cyclobutylphenyl)propan-2-yl]-5-methylcyclohexan-1-ol
CID 114606456
ethane;2-(2-methoxy-4-methylcyclohexyl)propan-2-ylbenzene
CID 155710062
(1R,2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexane-1-carbaldehyde
CID 10514464

Frequently Asked Questions

What is the IUPAC name of chloroform;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol?
The IUPAC name of chloroform;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol (CID 70236087) is chloroform;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for chloroform;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol?
The canonical SMILES for chloroform;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol is CC1CCC(C(C)(C)c2ccccc2)C(O)C1.ClC(Cl)Cl.
What is the InChIKey of chloroform;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol?
The InChIKey is ZCWDJWSHKBANAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O.CHCl3/c1-12-9-10-14(15(17)11-12)16(2,3)13-7-5-4-6-8-13;2-1(3)4/h4-8,12,14-15,17H,9-11H2,1-3H3;1H.
What are the key properties of chloroform;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol?
chloroform;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol has a molecular weight of 351.75 g/mol, XLogP of 5.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 70236087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).