5-(3-propoxycarbonylphenyl)furan-2-carboxylic acid

C15H14O5 — CID 17274125

IUPAC5-(3-propoxycarbonylphenyl)furan-2-carboxylic acid
SMILESCCCOC(=O)c1cccc(-c2ccc(C(=O)O)o2)c1
InChIInChI=1S/C15H14O5/c1-2-8-19-15(18)11-5-3-4-10(9-11)12-6-7-13(20-12)14(16)17/h3-7,9H,2,8H2,1H3,(H,16,17)
InChIKeyFGJMTHTZWJOWOS-UHFFFAOYSA-N
MW274.27 g/mol
LogP3.21
Rot. Bonds5

About 5-(3-propoxycarbonylphenyl)furan-2-carboxylic acid

5-(3-propoxycarbonylphenyl)furan-2-carboxylic acid (PubChem CID 17274125) has the molecular formula C15H14O5 and a molecular weight of 274.27 g/mol. Its IUPAC name is 5-(3-propoxycarbonylphenyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-propoxycarbonylphenyl)furan-2-carboxylic acid
PubChem CID17274125
Molecular FormulaC15H14O5
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Name5-(3-propoxycarbonylphenyl)furan-2-carboxylic acid
SMILESCCCOC(=O)c1cccc(-c2ccc(C(=O)O)o2)c1
InChIInChI=1S/C15H14O5/c1-2-8-19-15(18)11-5-3-4-10(9-11)12-6-7-13(20-12)14(16)17/h3-7,9H,2,8H2,1H3,(H,16,17)
InChIKeyFGJMTHTZWJOWOS-UHFFFAOYSA-N
XLogP3.21
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,5-dimethyl-2-[5-(3-propoxycarbonylphenyl)furan-2-yl]-1,3-thiazolidine-4-carboxylic acid
CID 53270607
propyl 3-(methoxymethyl)benzoate
CID 78846700
propyl 3-acetylbenzoate
CID 153251461
propyl 3-[5-(hydroxymethyl)-2-phenylmethoxyphenyl]benzoate
CID 67659567
ethyl 3-[5-[(E)-3-oxo-3-phenylprop-1-enyl]furan-2-yl]benzoate
CID 50887305
ethyl 3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]benzoate
CID 22934575
2-[5-(3-butoxycarbonylphenyl)furan-2-yl]-1,3-thiazolidine-4-carboxylic acid
CID 53270605
3-O-propanoyl 1-O-propyl benzene-1,3-dicarboxylate
CID 175115088
3-O-octyl 1-O-propyl benzene-1,3-dicarboxylate
CID 91734111
cyclopenta[b]pyran-2-carboxylic acid
CID 141029031
propyl 3-(methoxymethoxymethyl)benzoate
CID 174489069
5-(3-nitrosophenyl)furan-2-carboxylic acid
CID 144711483

Frequently Asked Questions

What is the IUPAC name of 5-(3-propoxycarbonylphenyl)furan-2-carboxylic acid?
The IUPAC name of 5-(3-propoxycarbonylphenyl)furan-2-carboxylic acid (CID 17274125) is 5-(3-propoxycarbonylphenyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(3-propoxycarbonylphenyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(3-propoxycarbonylphenyl)furan-2-carboxylic acid is CCCOC(=O)c1cccc(-c2ccc(C(=O)O)o2)c1.
What is the InChIKey of 5-(3-propoxycarbonylphenyl)furan-2-carboxylic acid?
The InChIKey is FGJMTHTZWJOWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O5/c1-2-8-19-15(18)11-5-3-4-10(9-11)12-6-7-13(20-12)14(16)17/h3-7,9H,2,8H2,1H3,(H,16,17).
What are the key properties of 5-(3-propoxycarbonylphenyl)furan-2-carboxylic acid?
5-(3-propoxycarbonylphenyl)furan-2-carboxylic acid has a molecular weight of 274.27 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-propoxycarbonylphenyl)furan-2-carboxylic acid is sourced from PubChem (CID 17274125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).