7-methyl-3-phenyl-1H-indole-2-carboxylic acid

C16H13NO2 — CID 16645886

IUPAC7-methyl-3-phenyl-1H-indole-2-carboxylic acid
SMILESCc1cccc2c(-c3ccccc3)c(C(=O)O)[nH]c12
InChIInChI=1S/C16H13NO2/c1-10-6-5-9-12-13(11-7-3-2-4-8-11)15(16(18)19)17-14(10)12/h2-9,17H,1H3,(H,18,19)
InChIKeyOSOLISRTJWBBIW-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.84
Rot. Bonds2

About 7-methyl-3-phenyl-1H-indole-2-carboxylic acid

7-methyl-3-phenyl-1H-indole-2-carboxylic acid (PubChem CID 16645886) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 7-methyl-3-phenyl-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name7-methyl-3-phenyl-1H-indole-2-carboxylic acid
PubChem CID16645886
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name7-methyl-3-phenyl-1H-indole-2-carboxylic acid
SMILESCc1cccc2c(-c3ccccc3)c(C(=O)O)[nH]c12
InChIInChI=1S/C16H13NO2/c1-10-6-5-9-12-13(11-7-3-2-4-8-11)15(16(18)19)17-14(10)12/h2-9,17H,1H3,(H,18,19)
InChIKeyOSOLISRTJWBBIW-UHFFFAOYSA-N
XLogP3.84
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-phenyl-1H-indole-2-carboxylic acid?
The IUPAC name of 7-methyl-3-phenyl-1H-indole-2-carboxylic acid (CID 16645886) is 7-methyl-3-phenyl-1H-indole-2-carboxylic acid.
What is the SMILES notation for 7-methyl-3-phenyl-1H-indole-2-carboxylic acid?
The canonical SMILES for 7-methyl-3-phenyl-1H-indole-2-carboxylic acid is Cc1cccc2c(-c3ccccc3)c(C(=O)O)[nH]c12.
What is the InChIKey of 7-methyl-3-phenyl-1H-indole-2-carboxylic acid?
The InChIKey is OSOLISRTJWBBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-10-6-5-9-12-13(11-7-3-2-4-8-11)15(16(18)19)17-14(10)12/h2-9,17H,1H3,(H,18,19).
What are the key properties of 7-methyl-3-phenyl-1H-indole-2-carboxylic acid?
7-methyl-3-phenyl-1H-indole-2-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-phenyl-1H-indole-2-carboxylic acid is sourced from PubChem (CID 16645886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).