5-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid

C15H11BrO3 — CID 114032365

IUPAC5-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid
SMILESO=C(O)c1cc(Br)ccc1-c1ccc2c(c1)CCO2
InChIInChI=1S/C15H11BrO3/c16-11-2-3-12(13(8-11)15(17)18)9-1-4-14-10(7-9)5-6-19-14/h1-4,7-8H,5-6H2,(H,17,18)
InChIKeyUZFNRFBXEMAPKL-UHFFFAOYSA-N
MW319.15 g/mol
LogP3.75
Rot. Bonds2

About 5-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid

5-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid (PubChem CID 114032365) has the molecular formula C15H11BrO3 and a molecular weight of 319.15 g/mol. Its IUPAC name is 5-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid.

Molecular Properties

Compound Name5-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid
PubChem CID114032365
Molecular FormulaC15H11BrO3
Molecular Weight319.15 g/mol
Exact Mass317.99
IUPAC Name5-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid
SMILESO=C(O)c1cc(Br)ccc1-c1ccc2c(c1)CCO2
InChIInChI=1S/C15H11BrO3/c16-11-2-3-12(13(8-11)15(17)18)9-1-4-14-10(7-9)5-6-19-14/h1-4,7-8H,5-6H2,(H,17,18)
InChIKeyUZFNRFBXEMAPKL-UHFFFAOYSA-N
XLogP3.75
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid
CID 4133179
5-bromo-2-(4-bromophenyl)benzoic acid;hydrochloride
CID 138584228
5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole-2-carboxylic acid
CID 112619620
(2,4-dibromophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 107944745
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxybenzamide
CID 38558716
2-chloro-5-(3,4-dihydro-2H-chromen-6-yl)benzoic acid
CID 61026274
2-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)benzoic acid
CID 66821500
5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carboxylic acid
CID 54974551
1-[2-(3,4-dihydro-2H-chromen-6-yl)phenyl]ethanone
CID 54910597
5-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-2-carboxylic acid
CID 71700391
4-(2,3-dihydro-1-benzofuran-5-yl)-3-fluorophenol
CID 104545385

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid?
The IUPAC name of 5-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid (CID 114032365) is 5-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid.
What is the SMILES notation for 5-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid?
The canonical SMILES for 5-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid is O=C(O)c1cc(Br)ccc1-c1ccc2c(c1)CCO2.
What is the InChIKey of 5-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid?
The InChIKey is UZFNRFBXEMAPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrO3/c16-11-2-3-12(13(8-11)15(17)18)9-1-4-14-10(7-9)5-6-19-14/h1-4,7-8H,5-6H2,(H,17,18).
What are the key properties of 5-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid?
5-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid has a molecular weight of 319.15 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid is sourced from PubChem (CID 114032365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).