2-(1-cyclopropyl-1-hydroxyethyl)furan-3-carboxylic acid

C10H12O4 — CID 107432001

IUPAC2-(1-cyclopropyl-1-hydroxyethyl)furan-3-carboxylic acid
SMILESCC(O)(c1occc1C(=O)O)C1CC1
InChIInChI=1S/C10H12O4/c1-10(13,6-2-3-6)8-7(9(11)12)4-5-14-8/h4-6,13H,2-3H2,1H3,(H,11,12)
InChIKeyIOVWDKVDDWCTKQ-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.60
Rot. Bonds3

About 2-(1-cyclopropyl-1-hydroxyethyl)furan-3-carboxylic acid

2-(1-cyclopropyl-1-hydroxyethyl)furan-3-carboxylic acid (PubChem CID 107432001) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 2-(1-cyclopropyl-1-hydroxyethyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name2-(1-cyclopropyl-1-hydroxyethyl)furan-3-carboxylic acid
PubChem CID107432001
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name2-(1-cyclopropyl-1-hydroxyethyl)furan-3-carboxylic acid
SMILESCC(O)(c1occc1C(=O)O)C1CC1
InChIInChI=1S/C10H12O4/c1-10(13,6-2-3-6)8-7(9(11)12)4-5-14-8/h4-6,13H,2-3H2,1H3,(H,11,12)
InChIKeyIOVWDKVDDWCTKQ-UHFFFAOYSA-N
XLogP1.60
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyl-1-hydroxyethyl)furan-3-carboxylic acid?
The IUPAC name of 2-(1-cyclopropyl-1-hydroxyethyl)furan-3-carboxylic acid (CID 107432001) is 2-(1-cyclopropyl-1-hydroxyethyl)furan-3-carboxylic acid.
What is the SMILES notation for 2-(1-cyclopropyl-1-hydroxyethyl)furan-3-carboxylic acid?
The canonical SMILES for 2-(1-cyclopropyl-1-hydroxyethyl)furan-3-carboxylic acid is CC(O)(c1occc1C(=O)O)C1CC1.
What is the InChIKey of 2-(1-cyclopropyl-1-hydroxyethyl)furan-3-carboxylic acid?
The InChIKey is IOVWDKVDDWCTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-10(13,6-2-3-6)8-7(9(11)12)4-5-14-8/h4-6,13H,2-3H2,1H3,(H,11,12).
What are the key properties of 2-(1-cyclopropyl-1-hydroxyethyl)furan-3-carboxylic acid?
2-(1-cyclopropyl-1-hydroxyethyl)furan-3-carboxylic acid has a molecular weight of 196.20 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyl-1-hydroxyethyl)furan-3-carboxylic acid is sourced from PubChem (CID 107432001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).