3-(3-naphthalen-1-yloxypropyl)-7-phenyl-1H-indole-2-carboxylic acid

C28H23NO3 — CID 25144613

IUPAC3-(3-naphthalen-1-yloxypropyl)-7-phenyl-1H-indole-2-carboxylic acid
SMILESO=C(O)c1[nH]c2c(-c3ccccc3)cccc2c1CCCOc1cccc2ccccc12
InChIInChI=1S/C28H23NO3/c30-28(31)27-24(16-8-18-32-25-17-6-12-19-11-4-5-13-21(19)25)23-15-7-14-22(26(23)29-27)20-9-2-1-3-10-20/h1-7,9-15,17,29H,8,16,18H2,(H,30,31)
InChIKeyKTRRVUAMYYAKSN-UHFFFAOYSA-N
MW421.50 g/mol
LogP6.70
Rot. Bonds7

About 3-(3-naphthalen-1-yloxypropyl)-7-phenyl-1H-indole-2-carboxylic acid

3-(3-naphthalen-1-yloxypropyl)-7-phenyl-1H-indole-2-carboxylic acid (PubChem CID 25144613) has the molecular formula C28H23NO3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 3-(3-naphthalen-1-yloxypropyl)-7-phenyl-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name3-(3-naphthalen-1-yloxypropyl)-7-phenyl-1H-indole-2-carboxylic acid
PubChem CID25144613
Molecular FormulaC28H23NO3
Molecular Weight421.50 g/mol
Exact Mass421.17
IUPAC Name3-(3-naphthalen-1-yloxypropyl)-7-phenyl-1H-indole-2-carboxylic acid
SMILESO=C(O)c1[nH]c2c(-c3ccccc3)cccc2c1CCCOc1cccc2ccccc12
InChIInChI=1S/C28H23NO3/c30-28(31)27-24(16-8-18-32-25-17-6-12-19-11-4-5-13-21(19)25)23-15-7-14-22(26(23)29-27)20-9-2-1-3-10-20/h1-7,9-15,17,29H,8,16,18H2,(H,30,31)
InChIKeyKTRRVUAMYYAKSN-UHFFFAOYSA-N
XLogP6.70
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 56.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(3-naphthalen-1-yloxypropyl)-7-phenyl-1H-indole-2-carboxylic 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

5-(phenylmethoxy)-1H-indole-2-carboxylic acid
CID 81146
7-(3-((4-borono-3-formylphenoxy)methyl)-1,5-dimethyl-1H-pyrazol-4-yl)-3-(3-(naphthalen-1-yloxy)propyl)-1H-indole-2-carboxylic acid
CID 121487978
4-(benzyloxy)-1H-indole-2-carboxylic acid
CID 2735497
3-(3-(Naphthalen-1-yloxy)propyl)-1H-indole-2-carboxylic acid
CID 25100119
7-(2-Methylphenyl)-1-[2-(Morpholin-4-Yl)ethyl]-3-{3-[(Naphthalen-1-Yl)oxy]propyl}-1h-Indole-2-Carboxylic Acid
CID 25144061
7-(2-methylphenyl)-3-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propyl]-1~{H}-indole-2-carboxylic acid
CID 68935925
7-(1,5-dimethyl-3-(phenoxymethyl)-1H-pyrazol-4-yl)-3-(3-(naphthalen-1-yloxy)propyl)-1H-indole-2-carboxylic acid
CID 68941543
6-Chloro-3-[3-(4-Chloro-3,5-Dimethylphenoxy)propyl]-1h-Indole-2-Carboxylic Acid
CID 70680244
1-[3-(Naphthalen-1-Yloxy)propyl]-5,6-Dihydro-4h-Pyrrolo[3,2,1-Ij]quinoline-2-Carboxylic Acid
CID 91754241
7-(3-((3-acetylphenoxy)methyl)-1,5-dimethyl-1H-pyrazol-4-yl)-3-(3-(naphthalen-1-yloxy)propyl)-1H-indole-2-carboxylic acid
CID 121487966
7-(3-((3-formylphenoxy)methyl)-1,5-dimethyl-1H-pyrazol-4-yl)-3-(3-(naphthalen-1-yloxy)propyl)-1H-indole-2-carboxylic acid
CID 121487974
7-(3-((3-acetyl-4-boronophenoxy)methyl)-1,5-dimethyl-1H-pyrazol-4-yl)-3-(3-(naphthalen-1-yloxy)propyl)-1H-indole-2-carboxylic acid
CID 121487977

Frequently Asked Questions

What is the IUPAC name of 3-(3-naphthalen-1-yloxypropyl)-7-phenyl-1H-indole-2-carboxylic acid?
The IUPAC name of 3-(3-naphthalen-1-yloxypropyl)-7-phenyl-1H-indole-2-carboxylic acid (CID 25144613) is 3-(3-naphthalen-1-yloxypropyl)-7-phenyl-1H-indole-2-carboxylic acid.
What is the SMILES notation for 3-(3-naphthalen-1-yloxypropyl)-7-phenyl-1H-indole-2-carboxylic acid?
The canonical SMILES for 3-(3-naphthalen-1-yloxypropyl)-7-phenyl-1H-indole-2-carboxylic acid is O=C(O)c1[nH]c2c(-c3ccccc3)cccc2c1CCCOc1cccc2ccccc12.
What is the InChIKey of 3-(3-naphthalen-1-yloxypropyl)-7-phenyl-1H-indole-2-carboxylic acid?
The InChIKey is KTRRVUAMYYAKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23NO3/c30-28(31)27-24(16-8-18-32-25-17-6-12-19-11-4-5-13-21(19)25)23-15-7-14-22(26(23)29-27)20-9-2-1-3-10-20/h1-7,9-15,17,29H,8,16,18H2,(H,30,31).
What are the key properties of 3-(3-naphthalen-1-yloxypropyl)-7-phenyl-1H-indole-2-carboxylic acid?
3-(3-naphthalen-1-yloxypropyl)-7-phenyl-1H-indole-2-carboxylic acid has a molecular weight of 421.50 g/mol, XLogP of 6.70, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-naphthalen-1-yloxypropyl)-7-phenyl-1H-indole-2-carboxylic acid is sourced from PubChem (CID 25144613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).