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

C12H18O3 — CID 103459035

IUPAC1-cyclohexyl-2-(furan-3-yl)ethane-1,2-diol
SMILESOC(c1ccoc1)C(O)C1CCCCC1
InChIInChI=1S/C12H18O3/c13-11(9-4-2-1-3-5-9)12(14)10-6-7-15-8-10/h6-9,11-14H,1-5H2
InChIKeyFMQYOKAWQVTWML-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.25
Rot. Bonds3

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

1-cyclohexyl-2-(furan-3-yl)ethane-1,2-diol (PubChem CID 103459035) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 1-cyclohexyl-2-(furan-3-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-cyclohexyl-2-(furan-3-yl)ethane-1,2-diol
PubChem CID103459035
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name1-cyclohexyl-2-(furan-3-yl)ethane-1,2-diol
SMILESOC(c1ccoc1)C(O)C1CCCCC1
InChIInChI=1S/C12H18O3/c13-11(9-4-2-1-3-5-9)12(14)10-6-7-15-8-10/h6-9,11-14H,1-5H2
InChIKeyFMQYOKAWQVTWML-UHFFFAOYSA-N
XLogP2.25
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-(furan-3-yl)propane-1,2-diol
CID 103458978
2-cyclohexyl-1-(furan-3-yl)-2-hydroxyethanone
CID 103457678
N-cycloheptyl-1-(furan-3-yl)ethane-1,2-diamine
CID 65380747
furan-3-yl(oxolan-3-yl)methanol
CID 63894971
1-(3-chlorophenyl)-2-cyclohexylethane-1,2-diol
CID 103459098
N-[2-cyclohexyl-1-(furan-3-yl)-2-methoxyethyl]propan-1-amine
CID 116771848
N'-cyclopentyl-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]oxamide
CID 95986740
(R)-[(1S)-cyclohex-2-en-1-yl]-(furan-3-yl)methanol
CID 132573813
(4-ethylcyclohexyl)-(furan-3-yl)methanol
CID 64749944
2-amino-1-(furan-3-yl)propane-1,3-diol
CID 66204732
1-cyclohexyl-2-(furan-3-ylmethylamino)ethanol;hydrochloride
CID 115608900
1-cyclohexyl-2-cyclopentylethane-1,2-diol
CID 103459295

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(furan-3-yl)ethane-1,2-diol?
The IUPAC name of 1-cyclohexyl-2-(furan-3-yl)ethane-1,2-diol (CID 103459035) is 1-cyclohexyl-2-(furan-3-yl)ethane-1,2-diol.
What is the SMILES notation for 1-cyclohexyl-2-(furan-3-yl)ethane-1,2-diol?
The canonical SMILES for 1-cyclohexyl-2-(furan-3-yl)ethane-1,2-diol is OC(c1ccoc1)C(O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(furan-3-yl)ethane-1,2-diol?
The InChIKey is FMQYOKAWQVTWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c13-11(9-4-2-1-3-5-9)12(14)10-6-7-15-8-10/h6-9,11-14H,1-5H2.
What are the key properties of 1-cyclohexyl-2-(furan-3-yl)ethane-1,2-diol?
1-cyclohexyl-2-(furan-3-yl)ethane-1,2-diol has a molecular weight of 210.27 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(furan-3-yl)ethane-1,2-diol is sourced from PubChem (CID 103459035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).