2-[4-chloro-2-(3-ethoxyphenyl)-7-methyl-1H-indol-3-yl]acetic acid

C19H18ClNO3 — CID 3934205

IUPAC2-[4-chloro-2-(3-ethoxyphenyl)-7-methyl-1H-indol-3-yl]acetic acid
SMILESCCOc1cccc(-c2[nH]c3c(C)ccc(Cl)c3c2CC(=O)O)c1
InChIInChI=1S/C19H18ClNO3/c1-3-24-13-6-4-5-12(9-13)19-14(10-16(22)23)17-15(20)8-7-11(2)18(17)21-19/h4-9,21H,3,10H2,1-2H3,(H,22,23)
InChIKeyFEIPWXGTAJILPQ-UHFFFAOYSA-N
MW343.81 g/mol
LogP4.82
Rot. Bonds5

About 2-[4-chloro-2-(3-ethoxyphenyl)-7-methyl-1H-indol-3-yl]acetic acid

2-[4-chloro-2-(3-ethoxyphenyl)-7-methyl-1H-indol-3-yl]acetic acid (PubChem CID 3934205) has the molecular formula C19H18ClNO3 and a molecular weight of 343.81 g/mol. Its IUPAC name is 2-[4-chloro-2-(3-ethoxyphenyl)-7-methyl-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-2-(3-ethoxyphenyl)-7-methyl-1H-indol-3-yl]acetic acid
PubChem CID3934205
Molecular FormulaC19H18ClNO3
Molecular Weight343.81 g/mol
Exact Mass343.10
IUPAC Name2-[4-chloro-2-(3-ethoxyphenyl)-7-methyl-1H-indol-3-yl]acetic acid
SMILESCCOc1cccc(-c2[nH]c3c(C)ccc(Cl)c3c2CC(=O)O)c1
InChIInChI=1S/C19H18ClNO3/c1-3-24-13-6-4-5-12(9-13)19-14(10-16(22)23)17-15(20)8-7-11(2)18(17)21-19/h4-9,21H,3,10H2,1-2H3,(H,22,23)
InChIKeyFEIPWXGTAJILPQ-UHFFFAOYSA-N
XLogP4.82
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(3-ethoxyphenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid
CID 4306468
2-[4-chloro-2-(3,4-dichlorophenyl)-7-methyl-1H-indol-3-yl]acetic acid
CID 5207685
2-[4-chloro-2-(4-ethylphenyl)-7-methyl-1H-indol-3-yl]acetic acid
CID 5039749
2-[2-(4-bromophenyl)-4-chloro-7-methyl-1H-indol-3-yl]acetic acid
CID 5203529
2-[4,7-dimethyl-2-(3-methylphenyl)-1H-indol-3-yl]acetic acid
CID 3667771
2-[5-bromo-2-(3-ethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 4017002
2-[2-(3-bromophenyl)-4,7-dimethyl-1H-indol-3-yl]acetic acid
CID 4993473
2-[2-(4-ethoxyphenyl)-7-methyl-1H-indol-3-yl]acetic acid
CID 4280037
2-[2-(3-ethoxyphenyl)-5-iodo-1H-indol-3-yl]acetic acid
CID 3475473
2-(5-chloro-2,8-dimethyl-4-oxo-1H-quinolin-3-yl)acetic acid
CID 82246809
2-[2-(3,4-dichlorophenyl)-5-methoxy-7-methyl-1H-indol-3-yl]acetic acid
CID 3909439
2-[6-chloro-2-(4-ethoxy-3-methoxyphenyl)-7-methyl-1H-indol-3-yl]acetic acid
CID 3375280

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(3-ethoxyphenyl)-7-methyl-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[4-chloro-2-(3-ethoxyphenyl)-7-methyl-1H-indol-3-yl]acetic acid (CID 3934205) is 2-[4-chloro-2-(3-ethoxyphenyl)-7-methyl-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[4-chloro-2-(3-ethoxyphenyl)-7-methyl-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[4-chloro-2-(3-ethoxyphenyl)-7-methyl-1H-indol-3-yl]acetic acid is CCOc1cccc(-c2[nH]c3c(C)ccc(Cl)c3c2CC(=O)O)c1.
What is the InChIKey of 2-[4-chloro-2-(3-ethoxyphenyl)-7-methyl-1H-indol-3-yl]acetic acid?
The InChIKey is FEIPWXGTAJILPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO3/c1-3-24-13-6-4-5-12(9-13)19-14(10-16(22)23)17-15(20)8-7-11(2)18(17)21-19/h4-9,21H,3,10H2,1-2H3,(H,22,23).
What are the key properties of 2-[4-chloro-2-(3-ethoxyphenyl)-7-methyl-1H-indol-3-yl]acetic acid?
2-[4-chloro-2-(3-ethoxyphenyl)-7-methyl-1H-indol-3-yl]acetic acid has a molecular weight of 343.81 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(3-ethoxyphenyl)-7-methyl-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 3934205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).