5-(cyclohexyloxymethyl)furan-3-carboxylic acid

C12H16O4 — CID 62267257

IUPAC5-(cyclohexyloxymethyl)furan-3-carboxylic acid
SMILESO=C(O)c1coc(COC2CCCCC2)c1
InChIInChI=1S/C12H16O4/c13-12(14)9-6-11(15-7-9)8-16-10-4-2-1-3-5-10/h6-7,10H,1-5,8H2,(H,13,14)
InChIKeyOIIZPKWXCQRSPJ-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.83
Rot. Bonds4

About 5-(cyclohexyloxymethyl)furan-3-carboxylic acid

5-(cyclohexyloxymethyl)furan-3-carboxylic acid (PubChem CID 62267257) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-(cyclohexyloxymethyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name5-(cyclohexyloxymethyl)furan-3-carboxylic acid
PubChem CID62267257
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name5-(cyclohexyloxymethyl)furan-3-carboxylic acid
SMILESO=C(O)c1coc(COC2CCCCC2)c1
InChIInChI=1S/C12H16O4/c13-12(14)9-6-11(15-7-9)8-16-10-4-2-1-3-5-10/h6-7,10H,1-5,8H2,(H,13,14)
InChIKeyOIIZPKWXCQRSPJ-UHFFFAOYSA-N
XLogP2.83
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[cyclopentyl(methyl)amino]methyl]furan-3-carboxylic acid
CID 62267288
5-(hydroxymethyl)furan-3-carboxylic acid
CID 15422126
N-[[5-(cyclopentyloxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62444439
5-[[cyclopentylmethyl(methyl)amino]methyl]furan-3-carboxylic acid
CID 63631786
3-(cyclohexyloxymethyl)furan-2-carboxylic acid
CID 43153123
1-[5-(cyclopentyloxymethyl)furan-3-yl]-N-methylmethanamine
CID 62444242
5-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid
CID 62267284
5-(cyclooctylcarbamoyl)furan-3-carboxylic acid
CID 104607014
methyl 5-[(3-cyclohexyloxypropylamino)methyl]furan-3-carboxylate
CID 104585865
5-[(2-ethylcyclohexyl)oxymethyl]furan-3-carbohydrazide
CID 55214949
5-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]furan-3-carboxylic acid
CID 104608471
5-(2-methylpropyl)furan-3-carboxylic acid
CID 127020960

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexyloxymethyl)furan-3-carboxylic acid?
The IUPAC name of 5-(cyclohexyloxymethyl)furan-3-carboxylic acid (CID 62267257) is 5-(cyclohexyloxymethyl)furan-3-carboxylic acid.
What is the SMILES notation for 5-(cyclohexyloxymethyl)furan-3-carboxylic acid?
The canonical SMILES for 5-(cyclohexyloxymethyl)furan-3-carboxylic acid is O=C(O)c1coc(COC2CCCCC2)c1.
What is the InChIKey of 5-(cyclohexyloxymethyl)furan-3-carboxylic acid?
The InChIKey is OIIZPKWXCQRSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c13-12(14)9-6-11(15-7-9)8-16-10-4-2-1-3-5-10/h6-7,10H,1-5,8H2,(H,13,14).
What are the key properties of 5-(cyclohexyloxymethyl)furan-3-carboxylic acid?
5-(cyclohexyloxymethyl)furan-3-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexyloxymethyl)furan-3-carboxylic acid is sourced from PubChem (CID 62267257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).