3-cyclohexyl-1-(2,5-dimethylphenyl)propan-1-ol

C17H26O — CID 55200190

IUPAC3-cyclohexyl-1-(2,5-dimethylphenyl)propan-1-ol
SMILESCc1ccc(C)c(C(O)CCC2CCCCC2)c1
InChIInChI=1S/C17H26O/c1-13-8-9-14(2)16(12-13)17(18)11-10-15-6-4-3-5-7-15/h8-9,12,15,17-18H,3-7,10-11H2,1-2H3
InChIKeyILJHGBFYVPWZRU-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.70
Rot. Bonds4

About 3-cyclohexyl-1-(2,5-dimethylphenyl)propan-1-ol

3-cyclohexyl-1-(2,5-dimethylphenyl)propan-1-ol (PubChem CID 55200190) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 3-cyclohexyl-1-(2,5-dimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-cyclohexyl-1-(2,5-dimethylphenyl)propan-1-ol
PubChem CID55200190
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name3-cyclohexyl-1-(2,5-dimethylphenyl)propan-1-ol
SMILESCc1ccc(C)c(C(O)CCC2CCCCC2)c1
InChIInChI=1S/C17H26O/c1-13-8-9-14(2)16(12-13)17(18)11-10-15-6-4-3-5-7-15/h8-9,12,15,17-18H,3-7,10-11H2,1-2H3
InChIKeyILJHGBFYVPWZRU-UHFFFAOYSA-N
XLogP4.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-ol
CID 115794441
3-cyclohexyl-1-(2-ethoxy-5-methylphenyl)propan-1-ol
CID 63427299
2-(cyclohexylmethoxy)-1-(2,5-dimethylphenyl)ethanol
CID 62383414
3-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)propan-1-ol
CID 115831293
3-cyclopentyl-1-(2-methylthiophen-3-yl)propan-1-ol
CID 102842471
3-cyclohexyl-1-(2,5-dimethylthiophen-3-yl)propan-1-ol
CID 63427096
3-cyclopentyl-1-(2,4-difluoro-5-methylphenyl)propan-1-ol
CID 79730321
1-(2,5-dimethylphenyl)-4,4-dimethylpentan-1-ol
CID 65148482
1-(1-bromo-3-cyclohexylpropyl)-2,4-dimethylbenzene
CID 63438485
(3R)-1-[(2S)-2-(2,5-dimethylphenyl)-2-hydroxyethyl]pyrrolidin-3-ol
CID 99850417
1-(2,5-dimethylphenyl)-5-methylhexan-1-ol
CID 83158845
3-cyclohexyl-1-(2,4-difluorophenyl)propan-1-ol
CID 61088667

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(2,5-dimethylphenyl)propan-1-ol?
The IUPAC name of 3-cyclohexyl-1-(2,5-dimethylphenyl)propan-1-ol (CID 55200190) is 3-cyclohexyl-1-(2,5-dimethylphenyl)propan-1-ol.
What is the SMILES notation for 3-cyclohexyl-1-(2,5-dimethylphenyl)propan-1-ol?
The canonical SMILES for 3-cyclohexyl-1-(2,5-dimethylphenyl)propan-1-ol is Cc1ccc(C)c(C(O)CCC2CCCCC2)c1.
What is the InChIKey of 3-cyclohexyl-1-(2,5-dimethylphenyl)propan-1-ol?
The InChIKey is ILJHGBFYVPWZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-13-8-9-14(2)16(12-13)17(18)11-10-15-6-4-3-5-7-15/h8-9,12,15,17-18H,3-7,10-11H2,1-2H3.
What are the key properties of 3-cyclohexyl-1-(2,5-dimethylphenyl)propan-1-ol?
3-cyclohexyl-1-(2,5-dimethylphenyl)propan-1-ol has a molecular weight of 246.39 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(2,5-dimethylphenyl)propan-1-ol is sourced from PubChem (CID 55200190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).