1-cyclohexyl-3-(furan-3-yl)propane-1,2-diol

C13H20O3 — CID 103458978

IUPAC1-cyclohexyl-3-(furan-3-yl)propane-1,2-diol
SMILESOC(Cc1ccoc1)C(O)C1CCCCC1
InChIInChI=1S/C13H20O3/c14-12(8-10-6-7-16-9-10)13(15)11-4-2-1-3-5-11/h6-7,9,11-15H,1-5,8H2
InChIKeyLULXHUDDRCGOAG-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.12
Rot. Bonds4

About 1-cyclohexyl-3-(furan-3-yl)propane-1,2-diol

1-cyclohexyl-3-(furan-3-yl)propane-1,2-diol (PubChem CID 103458978) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-cyclohexyl-3-(furan-3-yl)propane-1,2-diol.

Molecular Properties

Compound Name1-cyclohexyl-3-(furan-3-yl)propane-1,2-diol
PubChem CID103458978
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name1-cyclohexyl-3-(furan-3-yl)propane-1,2-diol
SMILESOC(Cc1ccoc1)C(O)C1CCCCC1
InChIInChI=1S/C13H20O3/c14-12(8-10-6-7-16-9-10)13(15)11-4-2-1-3-5-11/h6-7,9,11-15H,1-5,8H2
InChIKeyLULXHUDDRCGOAG-UHFFFAOYSA-N
XLogP2.12
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 83175338
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CID 103459035
1-cyclohexyl-3-(furan-3-yl)-1-methoxy-N-methylpropan-2-amine
CID 116771472
2-(furan-3-yl)-1-(oxolan-2-yl)ethanol
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CID 83174876
4-cyclohexyl-1-(furan-3-yl)butan-2-amine
CID 105029745
1-(7-bicyclo[4.1.0]heptanyl)-2-(furan-3-yl)ethanamine
CID 105030225
2-[1-fluoro-2-(furan-3-yl)ethyl]piperidine
CID 106635035
4-(furan-3-yl)-3-methylbutan-2-ol
CID 83182885
1,2-bis(furan-3-yl)ethanol
CID 83172033
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CID 107192815

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(furan-3-yl)propane-1,2-diol?
The IUPAC name of 1-cyclohexyl-3-(furan-3-yl)propane-1,2-diol (CID 103458978) is 1-cyclohexyl-3-(furan-3-yl)propane-1,2-diol.
What is the SMILES notation for 1-cyclohexyl-3-(furan-3-yl)propane-1,2-diol?
The canonical SMILES for 1-cyclohexyl-3-(furan-3-yl)propane-1,2-diol is OC(Cc1ccoc1)C(O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(furan-3-yl)propane-1,2-diol?
The InChIKey is LULXHUDDRCGOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c14-12(8-10-6-7-16-9-10)13(15)11-4-2-1-3-5-11/h6-7,9,11-15H,1-5,8H2.
What are the key properties of 1-cyclohexyl-3-(furan-3-yl)propane-1,2-diol?
1-cyclohexyl-3-(furan-3-yl)propane-1,2-diol has a molecular weight of 224.30 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(furan-3-yl)propane-1,2-diol is sourced from PubChem (CID 103458978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).