3-(2,3-dihydro-1H-indol-5-yl)-4-methoxybenzoic acid

C16H15NO3 — CID 82039141

IUPAC3-(2,3-dihydro-1H-indol-5-yl)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1-c1ccc2c(c1)CCN2
InChIInChI=1S/C16H15NO3/c1-20-15-5-3-12(16(18)19)9-13(15)10-2-4-14-11(8-10)6-7-17-14/h2-5,8-9,17H,6-7H2,1H3,(H,18,19)
InChIKeyGGVBGRQPGGPHLN-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.03
Rot. Bonds3

About 3-(2,3-dihydro-1H-indol-5-yl)-4-methoxybenzoic acid

3-(2,3-dihydro-1H-indol-5-yl)-4-methoxybenzoic acid (PubChem CID 82039141) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-indol-5-yl)-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-indol-5-yl)-4-methoxybenzoic acid
PubChem CID82039141
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name3-(2,3-dihydro-1H-indol-5-yl)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1-c1ccc2c(c1)CCN2
InChIInChI=1S/C16H15NO3/c1-20-15-5-3-12(16(18)19)9-13(15)10-2-4-14-11(8-10)6-7-17-14/h2-5,8-9,17H,6-7H2,1H3,(H,18,19)
InChIKeyGGVBGRQPGGPHLN-UHFFFAOYSA-N
XLogP3.03
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2,3-dihydro-1H-indol-5-yl)-4-methoxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dihydro-1H-indol-5-yl-(3,4-dimethoxyphenyl)methanone
CID 116554163
5-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole
CID 62502645
6-(5-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 55079489
2-(2,3-dihydro-1H-indol-5-yl)benzoic acid
CID 82039135
3-(1,3-benzodioxol-5-yl)-4-methoxybenzoic acid
CID 82039175
(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-indol-5-yl)methanone
CID 116554235
3-(3-hydroxyphenyl)-4-methoxybenzoic acid
CID 115045204
3-(3-bromophenyl)-4-methoxybenzoic acid
CID 115503797
3-(3-fluorophenyl)-4-methoxybenzoic acid
CID 39349091
1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride
CID 50988785
N-(2,3-dihydro-1H-indol-5-yl)-3-hydroxy-4-methoxybenzamide
CID 79735171
(2R)-2-[[(E)-3-[4-(2,3-dihydro-1H-indol-5-yl)-2,5-dimethoxyphenyl]-2-fluoroprop-2-enoyl]amino]propanoic acid
CID 71154840

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-indol-5-yl)-4-methoxybenzoic acid?
The IUPAC name of 3-(2,3-dihydro-1H-indol-5-yl)-4-methoxybenzoic acid (CID 82039141) is 3-(2,3-dihydro-1H-indol-5-yl)-4-methoxybenzoic acid.
What is the SMILES notation for 3-(2,3-dihydro-1H-indol-5-yl)-4-methoxybenzoic acid?
The canonical SMILES for 3-(2,3-dihydro-1H-indol-5-yl)-4-methoxybenzoic acid is COc1ccc(C(=O)O)cc1-c1ccc2c(c1)CCN2.
What is the InChIKey of 3-(2,3-dihydro-1H-indol-5-yl)-4-methoxybenzoic acid?
The InChIKey is GGVBGRQPGGPHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-20-15-5-3-12(16(18)19)9-13(15)10-2-4-14-11(8-10)6-7-17-14/h2-5,8-9,17H,6-7H2,1H3,(H,18,19).
What are the key properties of 3-(2,3-dihydro-1H-indol-5-yl)-4-methoxybenzoic acid?
3-(2,3-dihydro-1H-indol-5-yl)-4-methoxybenzoic acid has a molecular weight of 269.30 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-indol-5-yl)-4-methoxybenzoic acid is sourced from PubChem (CID 82039141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).