1-[3-(furan-3-yl)phenyl]cyclobutane-1-carboxylic acid

C15H14O3 — CID 166242404

IUPAC1-[3-(furan-3-yl)phenyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2cccc(-c3ccoc3)c2)CCC1
InChIInChI=1S/C15H14O3/c16-14(17)15(6-2-7-15)13-4-1-3-11(9-13)12-5-8-18-10-12/h1,3-5,8-10H,2,6-7H2,(H,16,17)
InChIKeyAJWWQRUGUQMXMG-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.45
Rot. Bonds3

About 1-[3-(furan-3-yl)phenyl]cyclobutane-1-carboxylic acid

1-[3-(furan-3-yl)phenyl]cyclobutane-1-carboxylic acid (PubChem CID 166242404) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-[3-(furan-3-yl)phenyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(furan-3-yl)phenyl]cyclobutane-1-carboxylic acid
PubChem CID166242404
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name1-[3-(furan-3-yl)phenyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2cccc(-c3ccoc3)c2)CCC1
InChIInChI=1S/C15H14O3/c16-14(17)15(6-2-7-15)13-4-1-3-11(9-13)12-5-8-18-10-12/h1,3-5,8-10H,2,6-7H2,(H,16,17)
InChIKeyAJWWQRUGUQMXMG-UHFFFAOYSA-N
XLogP3.45
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(-)-Hardwickiic acid
CID 15559629
3-(5-Phenylfuran-2-yl)propanoic acid
CID 593970
3-(5-Formyl-2-furyl)benzoic acid
CID 612216
(+)-Hardwickiic Acid
CID 15559627
(5alpha,8alpha,9R,10beta)-15,16-Epoxycleroda-3,13(16),14-trien-17-oic acid
CID 14262571
(1R,2R,4aR,8aS)-1-[2-(furan-3-yl)ethyl]-2,4a,5-trimethyl-2,3,4,7,8,8a-hexahydronaphthalene-1-carboxylic acid
CID 23872147
4-(5-Formyl-2-furyl)benzoic acid
CID 612279
Isofischeric acid
CID 24867644
Lambertiainc Acid
CID 11869599
(3R,4aR,5R,6R,8aR)-6-(benzoyloxymethyl)-5-[2-(furan-3-yl)ethyl]-3-hydroxy-5,8a-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
CID 52931823
(1E,3Z,6R,7R)-6-[2-(furan-3-yl)ethyl]-6,7-dimethyl-10-methylidenecyclodeca-1,3-diene-1-carboxylic acid
CID 5469447
4-(Fur-2-yl)benzoic acid
CID 5138791

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-3-yl)phenyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[3-(furan-3-yl)phenyl]cyclobutane-1-carboxylic acid (CID 166242404) is 1-[3-(furan-3-yl)phenyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(furan-3-yl)phenyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[3-(furan-3-yl)phenyl]cyclobutane-1-carboxylic acid is O=C(O)C1(c2cccc(-c3ccoc3)c2)CCC1.
What is the InChIKey of 1-[3-(furan-3-yl)phenyl]cyclobutane-1-carboxylic acid?
The InChIKey is AJWWQRUGUQMXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c16-14(17)15(6-2-7-15)13-4-1-3-11(9-13)12-5-8-18-10-12/h1,3-5,8-10H,2,6-7H2,(H,16,17).
What are the key properties of 1-[3-(furan-3-yl)phenyl]cyclobutane-1-carboxylic acid?
1-[3-(furan-3-yl)phenyl]cyclobutane-1-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-3-yl)phenyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 166242404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).