benzo[f][1]benzofuran-2-carboxylic acid

C13H8O3 — CID 21450579

IUPACbenzo[f][1]benzofuran-2-carboxylic acid
SMILESO=C(O)c1cc2cc3ccccc3cc2o1
InChIInChI=1S/C13H8O3/c14-13(15)12-7-10-5-8-3-1-2-4-9(8)6-11(10)16-12/h1-7H,(H,14,15)
InChIKeyPESVZLLJJKVMEX-UHFFFAOYSA-N
MW212.20 g/mol
LogP3.28
Rot. Bonds1

About benzo[f][1]benzofuran-2-carboxylic acid

benzo[f][1]benzofuran-2-carboxylic acid (PubChem CID 21450579) has the molecular formula C13H8O3 and a molecular weight of 212.20 g/mol. Its IUPAC name is benzo[f][1]benzofuran-2-carboxylic acid.

Molecular Properties

Compound Namebenzo[f][1]benzofuran-2-carboxylic acid
PubChem CID21450579
Molecular FormulaC13H8O3
Molecular Weight212.20 g/mol
Exact Mass212.05
IUPAC Namebenzo[f][1]benzofuran-2-carboxylic acid
SMILESO=C(O)c1cc2cc3ccccc3cc2o1
InChIInChI=1S/C13H8O3/c14-13(15)12-7-10-5-8-3-1-2-4-9(8)6-11(10)16-12/h1-7H,(H,14,15)
InChIKeyPESVZLLJJKVMEX-UHFFFAOYSA-N
XLogP3.28
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzo[f][1]benzofuran-2-yl-2-bromoethanone
CID 165356298
2-oxobenzo[g]chromene-3-carboxylic acid
CID 11345462
5,6-dihydroxy-1-benzofuran-2-carboxylic acid
CID 19021389
CID 169217611
CID 169217611
CID 89093866
CID 89093866
4-aminobenzamide;1-benzofuran-2-carboxylic acid
CID 70131943
anthracene;carbamic acid
CID 175829051
SODIUM, 5-BROMO-BENZOFURAN-2-CARBOXYLATE
CID 126957561
6-chloro-5-methyl-1-benzofuran-2-carboxylic acid
CID 130064962
5-nitroso-1-benzofuran-2-carboxylic acid
CID 88894319
5-(benzenesulfinylmethyl)-1-benzofuran-2-carboxylic acid
CID 65295655
5-[(2-carboxy-1-benzofuran-5-yl)carbamoylamino]-1-benzofuran-2-carboxylic acid
CID 71013533

Frequently Asked Questions

What is the IUPAC name of benzo[f][1]benzofuran-2-carboxylic acid?
The IUPAC name of benzo[f][1]benzofuran-2-carboxylic acid (CID 21450579) is benzo[f][1]benzofuran-2-carboxylic acid.
What is the SMILES notation for benzo[f][1]benzofuran-2-carboxylic acid?
The canonical SMILES for benzo[f][1]benzofuran-2-carboxylic acid is O=C(O)c1cc2cc3ccccc3cc2o1.
What is the InChIKey of benzo[f][1]benzofuran-2-carboxylic acid?
The InChIKey is PESVZLLJJKVMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O3/c14-13(15)12-7-10-5-8-3-1-2-4-9(8)6-11(10)16-12/h1-7H,(H,14,15).
What are the key properties of benzo[f][1]benzofuran-2-carboxylic acid?
benzo[f][1]benzofuran-2-carboxylic acid has a molecular weight of 212.20 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[f][1]benzofuran-2-carboxylic acid is sourced from PubChem (CID 21450579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).