5-(4-methylcyclohexyl)oxyfuran-2-carboxylic acid

C12H16O4 — CID 62205646

IUPAC5-(4-methylcyclohexyl)oxyfuran-2-carboxylic acid
SMILESCC1CCC(Oc2ccc(C(=O)O)o2)CC1
InChIInChI=1S/C12H16O4/c1-8-2-4-9(5-3-8)15-11-7-6-10(16-11)12(13)14/h6-9H,2-5H2,1H3,(H,13,14)
InChIKeyBCWJWSVZUOYNGC-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.94
Rot. Bonds3

About 5-(4-methylcyclohexyl)oxyfuran-2-carboxylic acid

5-(4-methylcyclohexyl)oxyfuran-2-carboxylic acid (PubChem CID 62205646) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-(4-methylcyclohexyl)oxyfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-methylcyclohexyl)oxyfuran-2-carboxylic acid
PubChem CID62205646
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name5-(4-methylcyclohexyl)oxyfuran-2-carboxylic acid
SMILESCC1CCC(Oc2ccc(C(=O)O)o2)CC1
InChIInChI=1S/C12H16O4/c1-8-2-4-9(5-3-8)15-11-7-6-10(16-11)12(13)14/h6-9H,2-5H2,1H3,(H,13,14)
InChIKeyBCWJWSVZUOYNGC-UHFFFAOYSA-N
XLogP2.94
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylcyclohexyl)oxyfuran-2-carboxylic acid?
The IUPAC name of 5-(4-methylcyclohexyl)oxyfuran-2-carboxylic acid (CID 62205646) is 5-(4-methylcyclohexyl)oxyfuran-2-carboxylic acid.
What is the SMILES notation for 5-(4-methylcyclohexyl)oxyfuran-2-carboxylic acid?
The canonical SMILES for 5-(4-methylcyclohexyl)oxyfuran-2-carboxylic acid is CC1CCC(Oc2ccc(C(=O)O)o2)CC1.
What is the InChIKey of 5-(4-methylcyclohexyl)oxyfuran-2-carboxylic acid?
The InChIKey is BCWJWSVZUOYNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-8-2-4-9(5-3-8)15-11-7-6-10(16-11)12(13)14/h6-9H,2-5H2,1H3,(H,13,14).
What are the key properties of 5-(4-methylcyclohexyl)oxyfuran-2-carboxylic acid?
5-(4-methylcyclohexyl)oxyfuran-2-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylcyclohexyl)oxyfuran-2-carboxylic acid is sourced from PubChem (CID 62205646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).