5-(2-phenylcyclopropanecarbonyl)furan-2-carboxylic acid

C15H12O4 — CID 106946658

IUPAC5-(2-phenylcyclopropanecarbonyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)C2CC2c2ccccc2)o1
InChIInChI=1S/C15H12O4/c16-14(12-6-7-13(19-12)15(17)18)11-8-10(11)9-4-2-1-3-5-9/h1-7,10-11H,8H2,(H,17,18)
InChIKeyDTSHBPBYLKIXIC-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.96
Rot. Bonds4

About 5-(2-phenylcyclopropanecarbonyl)furan-2-carboxylic acid

5-(2-phenylcyclopropanecarbonyl)furan-2-carboxylic acid (PubChem CID 106946658) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 5-(2-phenylcyclopropanecarbonyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-phenylcyclopropanecarbonyl)furan-2-carboxylic acid
PubChem CID106946658
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Name5-(2-phenylcyclopropanecarbonyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)C2CC2c2ccccc2)o1
InChIInChI=1S/C15H12O4/c16-14(12-6-7-13(19-12)15(17)18)11-8-10(11)9-4-2-1-3-5-9/h1-7,10-11H,8H2,(H,17,18)
InChIKeyDTSHBPBYLKIXIC-UHFFFAOYSA-N
XLogP2.96
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
(2-bromofuran-3-yl)-(2-phenylcyclopropyl)methanone
CID 106856807
[(1R,2S)-2-phenylcyclopropyl]-pyridin-2-ylmethanone
CID 1471621
2-chloro-1-[(1S,2R)-2-phenylcyclopropyl]ethanone
CID 164769669
2,2-dimethyl-1-(2-phenylcyclopropyl)propan-1-one
CID 76612897
2,2,2-trifluoro-1-[(1R,2R)-2-phenylcyclopropyl]ethanone
CID 45081115
trans-methyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 642984
2-(4-fluorophenyl)-1-[(1S,2S)-2-phenylcyclopropyl]ethanone
CID 159213870
[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-phenylmethanone
CID 27327097
3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one
CID 101132286
(4-fluoro-2,6-dimethylphenyl)-(2-phenylcyclopropyl)methanone
CID 106876685

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylcyclopropanecarbonyl)furan-2-carboxylic acid?
The IUPAC name of 5-(2-phenylcyclopropanecarbonyl)furan-2-carboxylic acid (CID 106946658) is 5-(2-phenylcyclopropanecarbonyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(2-phenylcyclopropanecarbonyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(2-phenylcyclopropanecarbonyl)furan-2-carboxylic acid is O=C(O)c1ccc(C(=O)C2CC2c2ccccc2)o1.
What is the InChIKey of 5-(2-phenylcyclopropanecarbonyl)furan-2-carboxylic acid?
The InChIKey is DTSHBPBYLKIXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O4/c16-14(12-6-7-13(19-12)15(17)18)11-8-10(11)9-4-2-1-3-5-9/h1-7,10-11H,8H2,(H,17,18).
What are the key properties of 5-(2-phenylcyclopropanecarbonyl)furan-2-carboxylic acid?
5-(2-phenylcyclopropanecarbonyl)furan-2-carboxylic acid has a molecular weight of 256.26 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylcyclopropanecarbonyl)furan-2-carboxylic acid is sourced from PubChem (CID 106946658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).