5-[4-(3-hydroxyprop-1-enyl)phenyl]furan-2-carboxylic acid

C14H12O4 — CID 169454193

IUPAC5-[4-(3-hydroxyprop-1-enyl)phenyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(C=CCO)cc2)o1
InChIInChI=1S/C14H12O4/c15-9-1-2-10-3-5-11(6-4-10)12-7-8-13(18-12)14(16)17/h1-8,15H,9H2,(H,16,17)
InChIKeyLKVOFPNDVKKZNO-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.65
Rot. Bonds4

About 5-[4-(3-hydroxyprop-1-enyl)phenyl]furan-2-carboxylic acid

5-[4-(3-hydroxyprop-1-enyl)phenyl]furan-2-carboxylic acid (PubChem CID 169454193) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is 5-[4-(3-hydroxyprop-1-enyl)phenyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(3-hydroxyprop-1-enyl)phenyl]furan-2-carboxylic acid
PubChem CID169454193
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Name5-[4-(3-hydroxyprop-1-enyl)phenyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(C=CCO)cc2)o1
InChIInChI=1S/C14H12O4/c15-9-1-2-10-3-5-11(6-4-10)12-7-8-13(18-12)14(16)17/h1-8,15H,9H2,(H,16,17)
InChIKeyLKVOFPNDVKKZNO-UHFFFAOYSA-N
XLogP2.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(3-aminoprop-1-enyl)phenyl]furan-2-carboxylic acid
CID 169464455
5-[4-(3-cyanoprop-1-enyl)phenyl]furan-2-carboxylic acid
CID 170800668
5-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]furan-2-carboxylic acid
CID 169468485
5-[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]phenyl]furan-2-carboxylic acid
CID 170491448
cyclopenta[b]pyran-2-carboxylic acid
CID 141029031
5-[4-(2-methylbutan-2-yl)phenyl]furan-2-carboxylic acid
CID 66257827
5-[4-[formyl(methyl)amino]phenyl]furan-2-carboxylic acid
CID 173162831
5-[4-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]furan-2-carboxylic acid
CID 9034624
5-[4-(1-methylcyclopropyl)phenyl]furan-2-carboxylic acid
CID 152990404
5-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]phenyl]furan-2-carboxylic acid
CID 34046595
5-[4-[(4-acetamidophenyl)carbamoylamino]phenyl]furan-2-carboxylic acid
CID 68831033
5-(3-carboxy-4-hydroxyphenyl)furan-2-carboxylic acid
CID 57339526

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-hydroxyprop-1-enyl)phenyl]furan-2-carboxylic acid?
The IUPAC name of 5-[4-(3-hydroxyprop-1-enyl)phenyl]furan-2-carboxylic acid (CID 169454193) is 5-[4-(3-hydroxyprop-1-enyl)phenyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[4-(3-hydroxyprop-1-enyl)phenyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[4-(3-hydroxyprop-1-enyl)phenyl]furan-2-carboxylic acid is O=C(O)c1ccc(-c2ccc(C=CCO)cc2)o1.
What is the InChIKey of 5-[4-(3-hydroxyprop-1-enyl)phenyl]furan-2-carboxylic acid?
The InChIKey is LKVOFPNDVKKZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c15-9-1-2-10-3-5-11(6-4-10)12-7-8-13(18-12)14(16)17/h1-8,15H,9H2,(H,16,17).
What are the key properties of 5-[4-(3-hydroxyprop-1-enyl)phenyl]furan-2-carboxylic acid?
5-[4-(3-hydroxyprop-1-enyl)phenyl]furan-2-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-hydroxyprop-1-enyl)phenyl]furan-2-carboxylic acid is sourced from PubChem (CID 169454193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).