3-(1-hydroxypropyl)cyclohexan-1-ol

C9H18O2 — CID 58193370

IUPAC3-(1-hydroxypropyl)cyclohexan-1-ol
SMILESCCC(O)C1CCCC(O)C1
InChIInChI=1S/C9H18O2/c1-2-9(11)7-4-3-5-8(10)6-7/h7-11H,2-6H2,1H3
InChIKeySZUFLNYWWZFIGG-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.31
Rot. Bonds2

About 3-(1-hydroxypropyl)cyclohexan-1-ol

3-(1-hydroxypropyl)cyclohexan-1-ol (PubChem CID 58193370) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-(1-hydroxypropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-(1-hydroxypropyl)cyclohexan-1-ol
PubChem CID58193370
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name3-(1-hydroxypropyl)cyclohexan-1-ol
SMILESCCC(O)C1CCCC(O)C1
InChIInChI=1S/C9H18O2/c1-2-9(11)7-4-3-5-8(10)6-7/h7-11H,2-6H2,1H3
InChIKeySZUFLNYWWZFIGG-UHFFFAOYSA-N
XLogP1.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(1-hydroxypropyl)cyclohexyl]ethane-1,2-diol
CID 58100174
(1R)-1-cyclopentylpropan-1-ol;sulfane
CID 161153256
3-(2-hydroxy-1-nitrobutyl)cyclohexan-1-ol
CID 15326166
1-(3-methylcyclopentyl)propan-1-ol
CID 65400346
(1R)-1-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]propan-1-ol
CID 159001079
1-(oxepan-4-yl)propan-1-ol
CID 79298601
2-cyclobutyl-1-(3-ethylcyclohexyl)ethanol
CID 65457880
trans-(1R,3R)-cyclohexane-1,3-diol
CID 6950744
cis-(1R,3S)-cyclohexane-1,3-diol
CID 6432741
3-[3-[3-[3,3-bis(3-hydroxycyclohexyl)propylphosphanyl]propylphosphanyl]-1-(3-hydroxycyclohexyl)propyl]cyclohexan-1-ol
CID 18757143
ethane;(1R)-3-methylcyclohexan-1-ol
CID 145275507
1-(4-aminocyclohexyl)propan-1-ol
CID 89389818

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxypropyl)cyclohexan-1-ol?
The IUPAC name of 3-(1-hydroxypropyl)cyclohexan-1-ol (CID 58193370) is 3-(1-hydroxypropyl)cyclohexan-1-ol.
What is the SMILES notation for 3-(1-hydroxypropyl)cyclohexan-1-ol?
The canonical SMILES for 3-(1-hydroxypropyl)cyclohexan-1-ol is CCC(O)C1CCCC(O)C1.
What is the InChIKey of 3-(1-hydroxypropyl)cyclohexan-1-ol?
The InChIKey is SZUFLNYWWZFIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-2-9(11)7-4-3-5-8(10)6-7/h7-11H,2-6H2,1H3.
What are the key properties of 3-(1-hydroxypropyl)cyclohexan-1-ol?
3-(1-hydroxypropyl)cyclohexan-1-ol has a molecular weight of 158.24 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxypropyl)cyclohexan-1-ol is sourced from PubChem (CID 58193370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).