3-(cyclohexyloxymethyl)furan-2-carboxylic acid

C12H16O4 — CID 43153123

IUPAC3-(cyclohexyloxymethyl)furan-2-carboxylic acid
SMILESO=C(O)c1occc1COC1CCCCC1
InChIInChI=1S/C12H16O4/c13-12(14)11-9(6-7-15-11)8-16-10-4-2-1-3-5-10/h6-7,10H,1-5,8H2,(H,13,14)
InChIKeyMJMXWYXMEDKJBP-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.83
Rot. Bonds4

About 3-(cyclohexyloxymethyl)furan-2-carboxylic acid

3-(cyclohexyloxymethyl)furan-2-carboxylic acid (PubChem CID 43153123) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-(cyclohexyloxymethyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name3-(cyclohexyloxymethyl)furan-2-carboxylic acid
PubChem CID43153123
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name3-(cyclohexyloxymethyl)furan-2-carboxylic acid
SMILESO=C(O)c1occc1COC1CCCCC1
InChIInChI=1S/C12H16O4/c13-12(14)11-9(6-7-15-11)8-16-10-4-2-1-3-5-10/h6-7,10H,1-5,8H2,(H,13,14)
InChIKeyMJMXWYXMEDKJBP-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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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexyloxymethyl)furan-2-carboxylic acid?
The IUPAC name of 3-(cyclohexyloxymethyl)furan-2-carboxylic acid (CID 43153123) is 3-(cyclohexyloxymethyl)furan-2-carboxylic acid.
What is the SMILES notation for 3-(cyclohexyloxymethyl)furan-2-carboxylic acid?
The canonical SMILES for 3-(cyclohexyloxymethyl)furan-2-carboxylic acid is O=C(O)c1occc1COC1CCCCC1.
What is the InChIKey of 3-(cyclohexyloxymethyl)furan-2-carboxylic acid?
The InChIKey is MJMXWYXMEDKJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c13-12(14)11-9(6-7-15-11)8-16-10-4-2-1-3-5-10/h6-7,10H,1-5,8H2,(H,13,14).
What are the key properties of 3-(cyclohexyloxymethyl)furan-2-carboxylic acid?
3-(cyclohexyloxymethyl)furan-2-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 3-(cyclohexyloxymethyl)furan-2-carboxylic acid is sourced from PubChem (CID 43153123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).