2-(2-bromophenyl)-3-(2,3-dihydro-1-benzofuran-3-yl)propanoic acid

C17H15BrO3 — CID 79435040

IUPAC2-(2-bromophenyl)-3-(2,3-dihydro-1-benzofuran-3-yl)propanoic acid
SMILESO=C(O)C(CC1COc2ccccc21)c1ccccc1Br
InChIInChI=1S/C17H15BrO3/c18-15-7-3-1-6-13(15)14(17(19)20)9-11-10-21-16-8-4-2-5-12(11)16/h1-8,11,14H,9-10H2,(H,19,20)
InChIKeyQOISTPHVEHZWDE-UHFFFAOYSA-N
MW347.21 g/mol
LogP4.18
Rot. Bonds4

About 2-(2-bromophenyl)-3-(2,3-dihydro-1-benzofuran-3-yl)propanoic acid

2-(2-bromophenyl)-3-(2,3-dihydro-1-benzofuran-3-yl)propanoic acid (PubChem CID 79435040) has the molecular formula C17H15BrO3 and a molecular weight of 347.21 g/mol. Its IUPAC name is 2-(2-bromophenyl)-3-(2,3-dihydro-1-benzofuran-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-bromophenyl)-3-(2,3-dihydro-1-benzofuran-3-yl)propanoic acid
PubChem CID79435040
Molecular FormulaC17H15BrO3
Molecular Weight347.21 g/mol
Exact Mass346.02
IUPAC Name2-(2-bromophenyl)-3-(2,3-dihydro-1-benzofuran-3-yl)propanoic acid
SMILESO=C(O)C(CC1COc2ccccc21)c1ccccc1Br
InChIInChI=1S/C17H15BrO3/c18-15-7-3-1-6-13(15)14(17(19)20)9-11-10-21-16-8-4-2-5-12(11)16/h1-8,11,14H,9-10H2,(H,19,20)
InChIKeyQOISTPHVEHZWDE-UHFFFAOYSA-N
XLogP4.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-3-yl)propanoic acid
CID 79434083
4-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutanoic acid
CID 81008483
(1S)-1-(2-bromophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
CID 81383137
4-(2,3-dihydro-1-benzofuran-3-yl)-2-methylbutanoic acid
CID 81008371
(2R)-2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoic acid
CID 83194430
2-(2,3-dihydro-1-benzofuran-3-ylmethylsulfonyl)propanoic acid
CID 79229941
2-(2-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-3-yl)propan-1-ol
CID 79449029
2-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-1-ol
CID 79218532
3-[2,3-dihydro-1-benzofuran-3-ylmethyl(ethyl)amino]-2-methylpropanoic acid
CID 79229408
3-(5-bromo-2,3-dihydro-1-benzofuran-3-yl)-2-methylpropanoic acid
CID 117201944
3-benzyl-2,3-dihydro-1-benzofuran
CID 11356275
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)azetidine-3-carboxylic acid
CID 79230205

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-3-(2,3-dihydro-1-benzofuran-3-yl)propanoic acid?
The IUPAC name of 2-(2-bromophenyl)-3-(2,3-dihydro-1-benzofuran-3-yl)propanoic acid (CID 79435040) is 2-(2-bromophenyl)-3-(2,3-dihydro-1-benzofuran-3-yl)propanoic acid.
What is the SMILES notation for 2-(2-bromophenyl)-3-(2,3-dihydro-1-benzofuran-3-yl)propanoic acid?
The canonical SMILES for 2-(2-bromophenyl)-3-(2,3-dihydro-1-benzofuran-3-yl)propanoic acid is O=C(O)C(CC1COc2ccccc21)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-3-(2,3-dihydro-1-benzofuran-3-yl)propanoic acid?
The InChIKey is QOISTPHVEHZWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrO3/c18-15-7-3-1-6-13(15)14(17(19)20)9-11-10-21-16-8-4-2-5-12(11)16/h1-8,11,14H,9-10H2,(H,19,20).
What are the key properties of 2-(2-bromophenyl)-3-(2,3-dihydro-1-benzofuran-3-yl)propanoic acid?
2-(2-bromophenyl)-3-(2,3-dihydro-1-benzofuran-3-yl)propanoic acid has a molecular weight of 347.21 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-3-(2,3-dihydro-1-benzofuran-3-yl)propanoic acid is sourced from PubChem (CID 79435040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).