2-[6-methyl-4-(4-methylphenyl)-2,3-dihydro-1H-indol-5-yl]acetic acid

C18H19NO2 — CID 134221633

IUPAC2-[6-methyl-4-(4-methylphenyl)-2,3-dihydro-1H-indol-5-yl]acetic acid
SMILESCc1ccc(-c2c(CC(=O)O)c(C)cc3c2CCN3)cc1
InChIInChI=1S/C18H19NO2/c1-11-3-5-13(6-4-11)18-14-7-8-19-16(14)9-12(2)15(18)10-17(20)21/h3-6,9,19H,7-8,10H2,1-2H3,(H,20,21)
InChIKeyYFOXWNBDNIFSCQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.57
Rot. Bonds3

About 2-[6-methyl-4-(4-methylphenyl)-2,3-dihydro-1H-indol-5-yl]acetic acid

2-[6-methyl-4-(4-methylphenyl)-2,3-dihydro-1H-indol-5-yl]acetic acid (PubChem CID 134221633) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[6-methyl-4-(4-methylphenyl)-2,3-dihydro-1H-indol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[6-methyl-4-(4-methylphenyl)-2,3-dihydro-1H-indol-5-yl]acetic acid
PubChem CID134221633
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name2-[6-methyl-4-(4-methylphenyl)-2,3-dihydro-1H-indol-5-yl]acetic acid
SMILESCc1ccc(-c2c(CC(=O)O)c(C)cc3c2CCN3)cc1
InChIInChI=1S/C18H19NO2/c1-11-3-5-13(6-4-11)18-14-7-8-19-16(14)9-12(2)15(18)10-17(20)21/h3-6,9,19H,7-8,10H2,1-2H3,(H,20,21)
InChIKeyYFOXWNBDNIFSCQ-UHFFFAOYSA-N
XLogP3.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[6-methyl-4-(4-methylphenyl)-2,3-dihydro-1H-indol-5-yl]acetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-4-(4-methylphenyl)-2,3-dihydro-1H-indol-5-yl]acetic acid?
The IUPAC name of 2-[6-methyl-4-(4-methylphenyl)-2,3-dihydro-1H-indol-5-yl]acetic acid (CID 134221633) is 2-[6-methyl-4-(4-methylphenyl)-2,3-dihydro-1H-indol-5-yl]acetic acid.
What is the SMILES notation for 2-[6-methyl-4-(4-methylphenyl)-2,3-dihydro-1H-indol-5-yl]acetic acid?
The canonical SMILES for 2-[6-methyl-4-(4-methylphenyl)-2,3-dihydro-1H-indol-5-yl]acetic acid is Cc1ccc(-c2c(CC(=O)O)c(C)cc3c2CCN3)cc1.
What is the InChIKey of 2-[6-methyl-4-(4-methylphenyl)-2,3-dihydro-1H-indol-5-yl]acetic acid?
The InChIKey is YFOXWNBDNIFSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-11-3-5-13(6-4-11)18-14-7-8-19-16(14)9-12(2)15(18)10-17(20)21/h3-6,9,19H,7-8,10H2,1-2H3,(H,20,21).
What are the key properties of 2-[6-methyl-4-(4-methylphenyl)-2,3-dihydro-1H-indol-5-yl]acetic acid?
2-[6-methyl-4-(4-methylphenyl)-2,3-dihydro-1H-indol-5-yl]acetic acid has a molecular weight of 281.36 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-4-(4-methylphenyl)-2,3-dihydro-1H-indol-5-yl]acetic acid is sourced from PubChem (CID 134221633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).