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

C17H25ClO3 — CID 86756445

IUPACcarbonochloridic acid;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
SMILESCC1CCC(C(C)(C)c2ccccc2)C(O)C1.O=C(O)Cl
InChIInChI=1S/C16H24O.CHClO2/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;(H,3,4)
InChIKeyIGGWDSZJTAPFMP-UHFFFAOYSA-N
MW312.84 g/mol
LogP4.66
Rot. Bonds2

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

carbonochloridic acid;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol (PubChem CID 86756445) has the molecular formula C17H25ClO3 and a molecular weight of 312.84 g/mol. Its IUPAC name is carbonochloridic acid;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Namecarbonochloridic acid;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
PubChem CID86756445
Molecular FormulaC17H25ClO3
Molecular Weight312.84 g/mol
Exact Mass312.15
IUPAC Namecarbonochloridic acid;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
SMILESCC1CCC(C(C)(C)c2ccccc2)C(O)C1.O=C(O)Cl
InChIInChI=1S/C16H24O.CHClO2/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;(H,3,4)
InChIKeyIGGWDSZJTAPFMP-UHFFFAOYSA-N
XLogP4.66
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_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
chloroform;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
CID 70236087
(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol;hydrate
CID 174940939
2-[(1R,2R,4R)-2,4-dimethylcyclohexyl]propan-2-ylbenzene
CID 134964067
2-(2,4-dimethylcyclohexyl)propan-2-ylbenzene
CID 134857032
[(1R,2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-chloro-2-oxoacetate
CID 101408696
[(5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2,2-dimethylpropanoate
CID 173009492
2-[(1S,2S,4R)-2-bromo-4-methylcyclohexyl]propan-2-ylbenzene
CID 46737239
[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-chloro-3-oxobutanoate
CID 10736626
(1R,2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexane-1-carbaldehyde
CID 10514464
(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

Frequently Asked Questions

What is the IUPAC name of carbonochloridic acid;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol?
The IUPAC name of carbonochloridic acid;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol (CID 86756445) is carbonochloridic acid;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for carbonochloridic acid;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol?
The canonical SMILES for carbonochloridic acid;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol is CC1CCC(C(C)(C)c2ccccc2)C(O)C1.O=C(O)Cl.
What is the InChIKey of carbonochloridic acid;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol?
The InChIKey is IGGWDSZJTAPFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O.CHClO2/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;(H,3,4).
What are the key properties of carbonochloridic acid;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol?
carbonochloridic acid;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol has a molecular weight of 312.84 g/mol, XLogP of 4.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonochloridic acid;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 86756445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).