5-benzoyl-4,7-dichloro-2,3-dihydro-1-benzofuran-2-carboxylic acid

C16H10Cl2O4 — CID 14348771

IUPAC5-benzoyl-4,7-dichloro-2,3-dihydro-1-benzofuran-2-carboxylic acid
SMILESO=C(c1ccccc1)c1cc(Cl)c2c(c1Cl)CC(C(=O)O)O2
InChIInChI=1S/C16H10Cl2O4/c17-11-6-9(14(19)8-4-2-1-3-5-8)13(18)10-7-12(16(20)21)22-15(10)11/h1-6,12H,7H2,(H,20,21)
InChIKeyAOEHAAKGUIGREW-UHFFFAOYSA-N
MW337.16 g/mol
LogP3.61
Rot. Bonds3

About 5-benzoyl-4,7-dichloro-2,3-dihydro-1-benzofuran-2-carboxylic acid

5-benzoyl-4,7-dichloro-2,3-dihydro-1-benzofuran-2-carboxylic acid (PubChem CID 14348771) has the molecular formula C16H10Cl2O4 and a molecular weight of 337.16 g/mol. Its IUPAC name is 5-benzoyl-4,7-dichloro-2,3-dihydro-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name5-benzoyl-4,7-dichloro-2,3-dihydro-1-benzofuran-2-carboxylic acid
PubChem CID14348771
Molecular FormulaC16H10Cl2O4
Molecular Weight337.16 g/mol
Exact Mass336.00
IUPAC Name5-benzoyl-4,7-dichloro-2,3-dihydro-1-benzofuran-2-carboxylic acid
SMILESO=C(c1ccccc1)c1cc(Cl)c2c(c1Cl)CC(C(=O)O)O2
InChIInChI=1S/C16H10Cl2O4/c17-11-6-9(14(19)8-4-2-1-3-5-8)13(18)10-7-12(16(20)21)22-15(10)11/h1-6,12H,7H2,(H,20,21)
InChIKeyAOEHAAKGUIGREW-UHFFFAOYSA-N
XLogP3.61
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzoyl-4,7-dichloro-2,3-dihydro-1-benzofuran-2-carboxylic acid?
The IUPAC name of 5-benzoyl-4,7-dichloro-2,3-dihydro-1-benzofuran-2-carboxylic acid (CID 14348771) is 5-benzoyl-4,7-dichloro-2,3-dihydro-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 5-benzoyl-4,7-dichloro-2,3-dihydro-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 5-benzoyl-4,7-dichloro-2,3-dihydro-1-benzofuran-2-carboxylic acid is O=C(c1ccccc1)c1cc(Cl)c2c(c1Cl)CC(C(=O)O)O2.
What is the InChIKey of 5-benzoyl-4,7-dichloro-2,3-dihydro-1-benzofuran-2-carboxylic acid?
The InChIKey is AOEHAAKGUIGREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2O4/c17-11-6-9(14(19)8-4-2-1-3-5-8)13(18)10-7-12(16(20)21)22-15(10)11/h1-6,12H,7H2,(H,20,21).
What are the key properties of 5-benzoyl-4,7-dichloro-2,3-dihydro-1-benzofuran-2-carboxylic acid?
5-benzoyl-4,7-dichloro-2,3-dihydro-1-benzofuran-2-carboxylic acid has a molecular weight of 337.16 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoyl-4,7-dichloro-2,3-dihydro-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 14348771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).