2-benzyl-3-cyclohexylpropan-1-ol

C16H24O — CID 66060213

IUPAC2-benzyl-3-cyclohexylpropan-1-ol
SMILESOCC(Cc1ccccc1)CC1CCCCC1
InChIInChI=1S/C16H24O/c17-13-16(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1,3-4,7-8,15-17H,2,5-6,9-13H2
InChIKeyUQBUDYCQMIGLNN-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.81
Rot. Bonds5

About 2-benzyl-3-cyclohexylpropan-1-ol

2-benzyl-3-cyclohexylpropan-1-ol (PubChem CID 66060213) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-benzyl-3-cyclohexylpropan-1-ol.

Molecular Properties

Compound Name2-benzyl-3-cyclohexylpropan-1-ol
PubChem CID66060213
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name2-benzyl-3-cyclohexylpropan-1-ol
SMILESOCC(Cc1ccccc1)CC1CCCCC1
InChIInChI=1S/C16H24O/c17-13-16(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1,3-4,7-8,15-17H,2,5-6,9-13H2
InChIKeyUQBUDYCQMIGLNN-UHFFFAOYSA-N
XLogP3.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-ol
CID 66059074
2-cyclohexyl-3-phenylpropan-1-ol
CID 82936977
[2-(cyclohexylmethyl)-3-methylbutyl]benzene
CID 54237378
2-benzyl-3-(cyclopropylamino)propan-1-ol
CID 117241557
(2S)-2-(1-cyclobutylpropan-2-ylamino)-3-phenylpropan-1-ol
CID 102613762
(1R)-1-cyclopentyl-2-phenylethanol
CID 39238299
1-cycloheptyl-N-methyl-3-phenylpropan-2-amine
CID 114458143
(1-chloro-2-phenylethyl)cycloheptane
CID 63542336
[3-(cyclohexylmethyl)-6-phenylhexyl]benzene
CID 173252623
1-cyclohexyl-N-ethyl-3-phenylpropan-2-amine
CID 55188118
2-cycloheptyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 102673858
4-[2-(cyclopentylmethyl)butyl]phenol
CID 57064964

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-cyclohexylpropan-1-ol?
The IUPAC name of 2-benzyl-3-cyclohexylpropan-1-ol (CID 66060213) is 2-benzyl-3-cyclohexylpropan-1-ol.
What is the SMILES notation for 2-benzyl-3-cyclohexylpropan-1-ol?
The canonical SMILES for 2-benzyl-3-cyclohexylpropan-1-ol is OCC(Cc1ccccc1)CC1CCCCC1.
What is the InChIKey of 2-benzyl-3-cyclohexylpropan-1-ol?
The InChIKey is UQBUDYCQMIGLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c17-13-16(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1,3-4,7-8,15-17H,2,5-6,9-13H2.
What are the key properties of 2-benzyl-3-cyclohexylpropan-1-ol?
2-benzyl-3-cyclohexylpropan-1-ol has a molecular weight of 232.37 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-cyclohexylpropan-1-ol is sourced from PubChem (CID 66060213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).