2-(2,3-dihydro-1H-indol-5-yl)benzoic acid

C15H13NO2 — CID 82039135

IUPAC2-(2,3-dihydro-1H-indol-5-yl)benzoic acid
SMILESO=C(O)c1ccccc1-c1ccc2c(c1)CCN2
InChIInChI=1S/C15H13NO2/c17-15(18)13-4-2-1-3-12(13)10-5-6-14-11(9-10)7-8-16-14/h1-6,9,16H,7-8H2,(H,17,18)
InChIKeyPYPMLZCUEHDOAS-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.02
Rot. Bonds2

About 2-(2,3-dihydro-1H-indol-5-yl)benzoic acid

2-(2,3-dihydro-1H-indol-5-yl)benzoic acid (PubChem CID 82039135) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-5-yl)benzoic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-5-yl)benzoic acid
PubChem CID82039135
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name2-(2,3-dihydro-1H-indol-5-yl)benzoic acid
SMILESO=C(O)c1ccccc1-c1ccc2c(c1)CCN2
InChIInChI=1S/C15H13NO2/c17-15(18)13-4-2-1-3-12(13)10-5-6-14-11(9-10)7-8-16-14/h1-6,9,16H,7-8H2,(H,17,18)
InChIKeyPYPMLZCUEHDOAS-UHFFFAOYSA-N
XLogP3.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]cyclopropane-1-carboxylic acid
CID 82039142
2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid
CID 4133179
3-(2,3-dihydro-1H-indol-5-yl)-4-methoxybenzoic acid
CID 82039141
2-[3,5-bis(2-carboxyphenyl)phenyl]benzoic acid
CID 21428532
N-[2-(dimethylamino)ethyl]-2-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 70978428
2-[3,4-bis(2-carboxyphenyl)phenyl]benzoic acid
CID 154122846
2-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]acetic acid
CID 82039136
2-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)benzoic acid
CID 66821500
5-(2-propoxyphenyl)-2,3-dihydro-1H-indole
CID 104660777
N-[4-[3-(2,3-dihydro-1H-indol-5-yl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide
CID 166165723
5-hydroxy-2,3-dihydro-1H-indole-6-carboxylic acid
CID 84656779
1-cyclopropyl-8-(2,3-dihydro-1H-indol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid;hydrochloride
CID 88925639

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-5-yl)benzoic acid?
The IUPAC name of 2-(2,3-dihydro-1H-indol-5-yl)benzoic acid (CID 82039135) is 2-(2,3-dihydro-1H-indol-5-yl)benzoic acid.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-5-yl)benzoic acid?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-5-yl)benzoic acid is O=C(O)c1ccccc1-c1ccc2c(c1)CCN2.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-5-yl)benzoic acid?
The InChIKey is PYPMLZCUEHDOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c17-15(18)13-4-2-1-3-12(13)10-5-6-14-11(9-10)7-8-16-14/h1-6,9,16H,7-8H2,(H,17,18).
What are the key properties of 2-(2,3-dihydro-1H-indol-5-yl)benzoic acid?
2-(2,3-dihydro-1H-indol-5-yl)benzoic acid has a molecular weight of 239.27 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indol-5-yl)benzoic acid is sourced from PubChem (CID 82039135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).