1-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid

C22H19NO3 — CID 67316207

IUPAC1-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2n1CCCOc1cccc2ccccc12
InChIInChI=1S/C22H19NO3/c24-22(25)20-15-17-8-2-4-11-19(17)23(20)13-6-14-26-21-12-5-9-16-7-1-3-10-18(16)21/h1-5,7-12,15H,6,13-14H2,(H,24,25)
InChIKeyCUHPLCWBMDMTPV-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.96
Rot. Bonds6

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

1-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid (PubChem CID 67316207) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid
PubChem CID67316207
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name1-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2n1CCCOc1cccc2ccccc12
InChIInChI=1S/C22H19NO3/c24-22(25)20-15-17-8-2-4-11-19(17)23(20)13-6-14-26-21-12-5-9-16-7-1-3-10-18(16)21/h1-5,7-12,15H,6,13-14H2,(H,24,25)
InChIKeyCUHPLCWBMDMTPV-UHFFFAOYSA-N
XLogP4.96
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid?
The IUPAC name of 1-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid (CID 67316207) is 1-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid.
What is the SMILES notation for 1-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid?
The canonical SMILES for 1-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid is O=C(O)c1cc2ccccc2n1CCCOc1cccc2ccccc12.
What is the InChIKey of 1-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid?
The InChIKey is CUHPLCWBMDMTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c24-22(25)20-15-17-8-2-4-11-19(17)23(20)13-6-14-26-21-12-5-9-16-7-1-3-10-18(16)21/h1-5,7-12,15H,6,13-14H2,(H,24,25).
What are the key properties of 1-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid?
1-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid has a molecular weight of 345.40 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid is sourced from PubChem (CID 67316207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).