2-[2-(3-chlorophenyl)-5-methyl-1H-indol-3-yl]acetic acid

C17H14ClNO2 — CID 4309109

IUPAC2-[2-(3-chlorophenyl)-5-methyl-1H-indol-3-yl]acetic acid
SMILESCc1ccc2[nH]c(-c3cccc(Cl)c3)c(CC(=O)O)c2c1
InChIInChI=1S/C17H14ClNO2/c1-10-5-6-15-13(7-10)14(9-16(20)21)17(19-15)11-3-2-4-12(18)8-11/h2-8,19H,9H2,1H3,(H,20,21)
InChIKeyMUPAEFKFRCZALZ-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.42
Rot. Bonds3

About 2-[2-(3-chlorophenyl)-5-methyl-1H-indol-3-yl]acetic acid

2-[2-(3-chlorophenyl)-5-methyl-1H-indol-3-yl]acetic acid (PubChem CID 4309109) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-5-methyl-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-5-methyl-1H-indol-3-yl]acetic acid
PubChem CID4309109
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name2-[2-(3-chlorophenyl)-5-methyl-1H-indol-3-yl]acetic acid
SMILESCc1ccc2[nH]c(-c3cccc(Cl)c3)c(CC(=O)O)c2c1
InChIInChI=1S/C17H14ClNO2/c1-10-5-6-15-13(7-10)14(9-16(20)21)17(19-15)11-3-2-4-12(18)8-11/h2-8,19H,9H2,1H3,(H,20,21)
InChIKeyMUPAEFKFRCZALZ-UHFFFAOYSA-N
XLogP4.42
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(3-chlorophenyl)-5-methyl-1H-indol-3-yl]-N-(4-methylphenyl)acetamide
CID 177492325
2-[5-butan-2-yl-2-(3-chlorophenyl)-1H-indol-3-yl]acetic acid
CID 3539679
2-[5-iodo-2-(3-methylphenyl)-1H-indol-3-yl]acetic acid
CID 3571200
2-[2-(3-chlorophenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid
CID 3263255
2-[2-(4-ethoxyphenyl)-5-methyl-1H-indol-3-yl]acetic acid
CID 3935848
2-[4,6-dichloro-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid
CID 5138090
2-[3-(4-aminobutyl)-2-(3-methylphenyl)-1H-indol-5-yl]acetic acid
CID 5027955
2-[2-(4-chlorophenyl)-5-iodo-1H-indol-3-yl]acetic acid
CID 3994534
2-(3-amino-6-methyl-2-oxo-1H-quinolin-4-yl)acetic acid
CID 115038738
2-(5-methoxy-2-phenyl-1H-indol-3-yl)acetic acid
CID 3597167
2-[2-(3-bromophenyl)-5-iodo-1H-indol-3-yl]acetic acid
CID 4580222
2-[2-(3-bromophenyl)-5-methoxy-1H-indol-3-yl]acetic acid
CID 4037576

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)-5-methyl-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[2-(3-chlorophenyl)-5-methyl-1H-indol-3-yl]acetic acid (CID 4309109) is 2-[2-(3-chlorophenyl)-5-methyl-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-5-methyl-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[2-(3-chlorophenyl)-5-methyl-1H-indol-3-yl]acetic acid is Cc1ccc2[nH]c(-c3cccc(Cl)c3)c(CC(=O)O)c2c1.
What is the InChIKey of 2-[2-(3-chlorophenyl)-5-methyl-1H-indol-3-yl]acetic acid?
The InChIKey is MUPAEFKFRCZALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2/c1-10-5-6-15-13(7-10)14(9-16(20)21)17(19-15)11-3-2-4-12(18)8-11/h2-8,19H,9H2,1H3,(H,20,21).
What are the key properties of 2-[2-(3-chlorophenyl)-5-methyl-1H-indol-3-yl]acetic acid?
2-[2-(3-chlorophenyl)-5-methyl-1H-indol-3-yl]acetic acid has a molecular weight of 299.76 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)-5-methyl-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 4309109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).