2-(3-hydroxypropyl)cyclohexan-1-ol

C9H18O2 — CID 566185

IUPAC2-(3-hydroxypropyl)cyclohexan-1-ol
SMILESOCCCC1CCCCC1O
InChIInChI=1S/C9H18O2/c10-7-3-5-8-4-1-2-6-9(8)11/h8-11H,1-7H2
InChIKeyPBZREJKPWKGCSH-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.31
Rot. Bonds3

About 2-(3-hydroxypropyl)cyclohexan-1-ol

2-(3-hydroxypropyl)cyclohexan-1-ol (PubChem CID 566185) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(3-hydroxypropyl)cyclohexan-1-ol
PubChem CID566185
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name2-(3-hydroxypropyl)cyclohexan-1-ol
SMILESOCCCC1CCCCC1O
InChIInChI=1S/C9H18O2/c10-7-3-5-8-4-1-2-6-9(8)11/h8-11H,1-7H2
InChIKeyPBZREJKPWKGCSH-UHFFFAOYSA-N
XLogP1.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

2-Cyclohexylethanol
CID 20508
1-Cyclohexylethanol
CID 137829
2-Propylcyclohexan-1-ol
CID 138614
2-(1-Hydroxyethyl)cyclohexanol
CID 141103
1-Cyclohexyl-1-propanol
CID 86535
alpha-Methylcyclohexanepropanol
CID 112065
3-Cyclohexyl-1-propanol
CID 70763
2-Hydroxy-alpha-propylcyclohexanemethanol
CID 97962
Rac-(1s,4s)-4-(hydroxymethyl)cyclohexanol
CID 12892866
2-Ethylcyclohexanol
CID 19576
2-Isopropylcyclohexan-1-ol
CID 95331
2-(2-Ethylbutyl)-1-cyclohexanol
CID 246922

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)cyclohexan-1-ol?
The IUPAC name of 2-(3-hydroxypropyl)cyclohexan-1-ol (CID 566185) is 2-(3-hydroxypropyl)cyclohexan-1-ol.
What is the SMILES notation for 2-(3-hydroxypropyl)cyclohexan-1-ol?
The canonical SMILES for 2-(3-hydroxypropyl)cyclohexan-1-ol is OCCCC1CCCCC1O.
What is the InChIKey of 2-(3-hydroxypropyl)cyclohexan-1-ol?
The InChIKey is PBZREJKPWKGCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c10-7-3-5-8-4-1-2-6-9(8)11/h8-11H,1-7H2.
What are the key properties of 2-(3-hydroxypropyl)cyclohexan-1-ol?
2-(3-hydroxypropyl)cyclohexan-1-ol has a molecular weight of 158.24 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)cyclohexan-1-ol is sourced from PubChem (CID 566185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).