6-phenyl-2-benzofuran-1-carboxylic acid

C15H10O3 — CID 67797449

IUPAC6-phenyl-2-benzofuran-1-carboxylic acid
SMILESO=C(O)c1occ2ccc(-c3ccccc3)cc12
InChIInChI=1S/C15H10O3/c16-15(17)14-13-8-11(6-7-12(13)9-18-14)10-4-2-1-3-5-10/h1-9H,(H,16,17)
InChIKeyHQKMQSXRHMMNMV-UHFFFAOYSA-N
MW238.24 g/mol
LogP3.80
Rot. Bonds2

About 6-phenyl-2-benzofuran-1-carboxylic acid

6-phenyl-2-benzofuran-1-carboxylic acid (PubChem CID 67797449) has the molecular formula C15H10O3 and a molecular weight of 238.24 g/mol. Its IUPAC name is 6-phenyl-2-benzofuran-1-carboxylic acid.

Molecular Properties

Compound Name6-phenyl-2-benzofuran-1-carboxylic acid
PubChem CID67797449
Molecular FormulaC15H10O3
Molecular Weight238.24 g/mol
Exact Mass238.06
IUPAC Name6-phenyl-2-benzofuran-1-carboxylic acid
SMILESO=C(O)c1occ2ccc(-c3ccccc3)cc12
InChIInChI=1S/C15H10O3/c16-15(17)14-13-8-11(6-7-12(13)9-18-14)10-4-2-1-3-5-10/h1-9H,(H,16,17)
InChIKeyHQKMQSXRHMMNMV-UHFFFAOYSA-N
XLogP3.80
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-benzofuran-1-carboxylic acid?
The IUPAC name of 6-phenyl-2-benzofuran-1-carboxylic acid (CID 67797449) is 6-phenyl-2-benzofuran-1-carboxylic acid.
What is the SMILES notation for 6-phenyl-2-benzofuran-1-carboxylic acid?
The canonical SMILES for 6-phenyl-2-benzofuran-1-carboxylic acid is O=C(O)c1occ2ccc(-c3ccccc3)cc12.
What is the InChIKey of 6-phenyl-2-benzofuran-1-carboxylic acid?
The InChIKey is HQKMQSXRHMMNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O3/c16-15(17)14-13-8-11(6-7-12(13)9-18-14)10-4-2-1-3-5-10/h1-9H,(H,16,17).
What are the key properties of 6-phenyl-2-benzofuran-1-carboxylic acid?
6-phenyl-2-benzofuran-1-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-benzofuran-1-carboxylic acid is sourced from PubChem (CID 67797449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).