1-[3-(1-hydroxypropyl)cyclohexyl]ethane-1,2-diol

C11H22O3 — CID 58100174

IUPAC1-[3-(1-hydroxypropyl)cyclohexyl]ethane-1,2-diol
SMILESCCC(O)C1CCCC(C(O)CO)C1
InChIInChI=1S/C11H22O3/c1-2-10(13)8-4-3-5-9(6-8)11(14)7-12/h8-14H,2-7H2,1H3
InChIKeyJVWKGAULELTJCB-UHFFFAOYSA-N
MW202.29 g/mol
LogP0.92
Rot. Bonds4

About 1-[3-(1-hydroxypropyl)cyclohexyl]ethane-1,2-diol

1-[3-(1-hydroxypropyl)cyclohexyl]ethane-1,2-diol (PubChem CID 58100174) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 1-[3-(1-hydroxypropyl)cyclohexyl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[3-(1-hydroxypropyl)cyclohexyl]ethane-1,2-diol
PubChem CID58100174
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name1-[3-(1-hydroxypropyl)cyclohexyl]ethane-1,2-diol
SMILESCCC(O)C1CCCC(C(O)CO)C1
InChIInChI=1S/C11H22O3/c1-2-10(13)8-4-3-5-9(6-8)11(14)7-12/h8-14H,2-7H2,1H3
InChIKeyJVWKGAULELTJCB-UHFFFAOYSA-N
XLogP0.92
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-cyclopentylpropan-1-ol;sulfane
CID 161153256
3-(1-hydroxypropyl)cyclohexan-1-ol
CID 58193370
(1R)-1-cyclohexylethane-1,2-diol
CID 11789331
1-(3-methylcyclopentyl)propan-1-ol
CID 65400346
(1S)-1-(1-methylpiperidin-4-yl)ethane-1,2-diol
CID 143640316
(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
1-(4-aminocyclohexyl)propan-1-ol
CID 89389818
1-(4-propan-2-ylcycloheptyl)butan-1-ol
CID 83050929
2-cyclobutyl-1-(3-ethylcyclohexyl)ethanol
CID 65457880
1-cyclobutyl-3-methylhexan-1-ol
CID 64986952
1-cyclobutyl-3-propoxypropan-1-ol
CID 105130749

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-hydroxypropyl)cyclohexyl]ethane-1,2-diol?
The IUPAC name of 1-[3-(1-hydroxypropyl)cyclohexyl]ethane-1,2-diol (CID 58100174) is 1-[3-(1-hydroxypropyl)cyclohexyl]ethane-1,2-diol.
What is the SMILES notation for 1-[3-(1-hydroxypropyl)cyclohexyl]ethane-1,2-diol?
The canonical SMILES for 1-[3-(1-hydroxypropyl)cyclohexyl]ethane-1,2-diol is CCC(O)C1CCCC(C(O)CO)C1.
What is the InChIKey of 1-[3-(1-hydroxypropyl)cyclohexyl]ethane-1,2-diol?
The InChIKey is JVWKGAULELTJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-2-10(13)8-4-3-5-9(6-8)11(14)7-12/h8-14H,2-7H2,1H3.
What are the key properties of 1-[3-(1-hydroxypropyl)cyclohexyl]ethane-1,2-diol?
1-[3-(1-hydroxypropyl)cyclohexyl]ethane-1,2-diol has a molecular weight of 202.29 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-hydroxypropyl)cyclohexyl]ethane-1,2-diol is sourced from PubChem (CID 58100174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).