1-[(4-fluoro-2-methylphenyl)methyl]indole-3-carboxylic acid

C17H14FNO2 — CID 114346298

IUPAC1-[(4-fluoro-2-methylphenyl)methyl]indole-3-carboxylic acid
SMILESCc1cc(F)ccc1Cn1cc(C(=O)O)c2ccccc21
InChIInChI=1S/C17H14FNO2/c1-11-8-13(18)7-6-12(11)9-19-10-15(17(20)21)14-4-2-3-5-16(14)19/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyWSWLHFMTEFJPHD-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.84
Rot. Bonds3

About 1-[(4-fluoro-2-methylphenyl)methyl]indole-3-carboxylic acid

1-[(4-fluoro-2-methylphenyl)methyl]indole-3-carboxylic acid (PubChem CID 114346298) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is 1-[(4-fluoro-2-methylphenyl)methyl]indole-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-fluoro-2-methylphenyl)methyl]indole-3-carboxylic acid
PubChem CID114346298
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC Name1-[(4-fluoro-2-methylphenyl)methyl]indole-3-carboxylic acid
SMILESCc1cc(F)ccc1Cn1cc(C(=O)O)c2ccccc21
InChIInChI=1S/C17H14FNO2/c1-11-8-13(18)7-6-12(11)9-19-10-15(17(20)21)14-4-2-3-5-16(14)19/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyWSWLHFMTEFJPHD-UHFFFAOYSA-N
XLogP3.84
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(4-fluoro-2-methylphenyl)methyl]indole-3-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

1-[(4-fluoro-2-methylphenyl)methyl]indole-3-carbaldehyde
CID 114346607
1-[(2,5-difluorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid
CID 56771887
1-benzyl-6-fluoroindole-3-carboxylic acid
CID 23073198
1-(naphthalen-1-ylmethyl)indole-3-carboxylic acid
CID 91690124
1-[(4-fluoro-2-methylphenyl)methyl]indole-4-carbothioamide
CID 107919385
1-(carboxymethyl)indole-3-carboxylic acid
CID 14914502
1-[1-[(4-fluorophenyl)methyl]indol-3-yl]propan-1-one
CID 955251
[1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone
CID 963177
6-bromo-1-[(2,4-dimethylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid
CID 94674245
1-[(4-fluoro-2-methylphenyl)methyl]benzimidazole
CID 113411916
[1-[(4-fluoro-2-methylphenyl)methyl]indol-4-yl]methanamine
CID 114346645
1-[1-[(2-fluorophenyl)methyl]indol-3-yl]-2,2-dimethylpropan-1-one
CID 4655393

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-2-methylphenyl)methyl]indole-3-carboxylic acid?
The IUPAC name of 1-[(4-fluoro-2-methylphenyl)methyl]indole-3-carboxylic acid (CID 114346298) is 1-[(4-fluoro-2-methylphenyl)methyl]indole-3-carboxylic acid.
What is the SMILES notation for 1-[(4-fluoro-2-methylphenyl)methyl]indole-3-carboxylic acid?
The canonical SMILES for 1-[(4-fluoro-2-methylphenyl)methyl]indole-3-carboxylic acid is Cc1cc(F)ccc1Cn1cc(C(=O)O)c2ccccc21.
What is the InChIKey of 1-[(4-fluoro-2-methylphenyl)methyl]indole-3-carboxylic acid?
The InChIKey is WSWLHFMTEFJPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2/c1-11-8-13(18)7-6-12(11)9-19-10-15(17(20)21)14-4-2-3-5-16(14)19/h2-8,10H,9H2,1H3,(H,20,21).
What are the key properties of 1-[(4-fluoro-2-methylphenyl)methyl]indole-3-carboxylic acid?
1-[(4-fluoro-2-methylphenyl)methyl]indole-3-carboxylic acid has a molecular weight of 283.30 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-2-methylphenyl)methyl]indole-3-carboxylic acid is sourced from PubChem (CID 114346298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).