5-(1-cyclopropyl-1-hydroxyethyl)furan-2-carboxylic acid

C10H12O4 — CID 106945811

IUPAC5-(1-cyclopropyl-1-hydroxyethyl)furan-2-carboxylic acid
SMILESCC(O)(c1ccc(C(=O)O)o1)C1CC1
InChIInChI=1S/C10H12O4/c1-10(13,6-2-3-6)8-5-4-7(14-8)9(11)12/h4-6,13H,2-3H2,1H3,(H,11,12)
InChIKeyDUPDYGQBJVTXOE-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.60
Rot. Bonds3

About 5-(1-cyclopropyl-1-hydroxyethyl)furan-2-carboxylic acid

5-(1-cyclopropyl-1-hydroxyethyl)furan-2-carboxylic acid (PubChem CID 106945811) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 5-(1-cyclopropyl-1-hydroxyethyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-cyclopropyl-1-hydroxyethyl)furan-2-carboxylic acid
PubChem CID106945811
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name5-(1-cyclopropyl-1-hydroxyethyl)furan-2-carboxylic acid
SMILESCC(O)(c1ccc(C(=O)O)o1)C1CC1
InChIInChI=1S/C10H12O4/c1-10(13,6-2-3-6)8-5-4-7(14-8)9(11)12/h4-6,13H,2-3H2,1H3,(H,11,12)
InChIKeyDUPDYGQBJVTXOE-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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Related Compounds

2-(1-cyclopropyl-1-hydroxyethyl)furan-3-carboxylic acid
CID 107432001
5-(2,2-dimethylpropanoyl)furan-2-carboxylic acid
CID 84720708
furan-2,5-dicarboxylic acid;indigane
CID 174700126
4-aminobenzamide;5-tert-butylfuran-2-carboxylic acid
CID 21188202
4-(1-cyclopentyl-1-hydroxyethyl)benzoic acid
CID 115040165
5-[(1S)-1-hydroxy-2,2-dimethylpropyl]furan-2-carboxylic acid
CID 170903953
1-cyclopropyl-1-(4-ethylphenyl)ethanol
CID 23255821
5-(cyclopropylmethyl)furan-2-carboxylic acid
CID 83815892
5-(2,2-dimethylcyclohexanecarbonyl)furan-2-carboxylic acid
CID 107187699
carbon dioxide;furan-2,5-dicarboxylic acid
CID 174931528
5-[(2-methylcyclopropyl)amino]furan-2-carboxylic acid
CID 62409956
bis(5-carboxyfuran-2-yl)iodanium
CID 139729150

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopropyl-1-hydroxyethyl)furan-2-carboxylic acid?
The IUPAC name of 5-(1-cyclopropyl-1-hydroxyethyl)furan-2-carboxylic acid (CID 106945811) is 5-(1-cyclopropyl-1-hydroxyethyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(1-cyclopropyl-1-hydroxyethyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(1-cyclopropyl-1-hydroxyethyl)furan-2-carboxylic acid is CC(O)(c1ccc(C(=O)O)o1)C1CC1.
What is the InChIKey of 5-(1-cyclopropyl-1-hydroxyethyl)furan-2-carboxylic acid?
The InChIKey is DUPDYGQBJVTXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-10(13,6-2-3-6)8-5-4-7(14-8)9(11)12/h4-6,13H,2-3H2,1H3,(H,11,12).
What are the key properties of 5-(1-cyclopropyl-1-hydroxyethyl)furan-2-carboxylic acid?
5-(1-cyclopropyl-1-hydroxyethyl)furan-2-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 5-(1-cyclopropyl-1-hydroxyethyl)furan-2-carboxylic acid is sourced from PubChem (CID 106945811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).