2-[5-chloro-2-(4-ethoxy-3-methoxyphenyl)-1H-indol-3-yl]acetic acid

C19H18ClNO4 — CID 3944744

IUPAC2-[5-chloro-2-(4-ethoxy-3-methoxyphenyl)-1H-indol-3-yl]acetic acid
SMILESCCOc1ccc(-c2[nH]c3ccc(Cl)cc3c2CC(=O)O)cc1OC
InChIInChI=1S/C19H18ClNO4/c1-3-25-16-7-4-11(8-17(16)24-2)19-14(10-18(22)23)13-9-12(20)5-6-15(13)21-19/h4-9,21H,3,10H2,1-2H3,(H,22,23)
InChIKeyFQVAKMYLVSVAKP-UHFFFAOYSA-N
MW359.81 g/mol
LogP4.52
Rot. Bonds6

About 2-[5-chloro-2-(4-ethoxy-3-methoxyphenyl)-1H-indol-3-yl]acetic acid

2-[5-chloro-2-(4-ethoxy-3-methoxyphenyl)-1H-indol-3-yl]acetic acid (PubChem CID 3944744) has the molecular formula C19H18ClNO4 and a molecular weight of 359.81 g/mol. Its IUPAC name is 2-[5-chloro-2-(4-ethoxy-3-methoxyphenyl)-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-chloro-2-(4-ethoxy-3-methoxyphenyl)-1H-indol-3-yl]acetic acid
PubChem CID3944744
Molecular FormulaC19H18ClNO4
Molecular Weight359.81 g/mol
Exact Mass359.09
IUPAC Name2-[5-chloro-2-(4-ethoxy-3-methoxyphenyl)-1H-indol-3-yl]acetic acid
SMILESCCOc1ccc(-c2[nH]c3ccc(Cl)cc3c2CC(=O)O)cc1OC
InChIInChI=1S/C19H18ClNO4/c1-3-25-16-7-4-11(8-17(16)24-2)19-14(10-18(22)23)13-9-12(20)5-6-15(13)21-19/h4-9,21H,3,10H2,1-2H3,(H,22,23)
InChIKeyFQVAKMYLVSVAKP-UHFFFAOYSA-N
XLogP4.52
TPSA71.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-chloro-2-(5-chloro-2-ethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 3974335
2-[2-(3-ethoxy-4-methoxyphenyl)-5-ethyl-1H-indol-3-yl]acetic acid
CID 4545229
2-[2-(3-ethoxy-4-methoxyphenyl)-5-fluoro-1H-indol-3-yl]acetic acid
CID 3572668
2-[2-(3,4-diethoxyphenyl)-5-ethoxy-1H-indol-3-yl]acetic acid
CID 3921291
2-[6-chloro-2-(4-ethoxy-3-methoxyphenyl)-7-methyl-1H-indol-3-yl]acetic acid
CID 3375280
2-[5-chloro-2-(2,3-dimethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 3275365
2-[5-butoxy-2-(3-fluoro-4-methoxyphenyl)-1H-indol-3-yl]acetic acid
CID 4587028
2-[5-tert-butyl-2-(5-chloro-2-methoxyphenyl)-1H-indol-3-yl]acetic acid
CID 3537628
2-[4,6-dichloro-2-(3-methoxy-4-phenylmethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 4015261
2-[2-(3,4-diethoxyphenyl)-5-methoxy-7-methyl-1H-indol-3-yl]acetic acid
CID 3928874
2-[2-(3-ethoxy-4-methoxyphenyl)-6,7-dimethyl-1H-indol-3-yl]acetic acid
CID 3919080
2-[2-(3-ethoxy-4-methoxyphenyl)-5-methoxy-7-methyl-1H-indol-3-yl]acetic acid
CID 3452357

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(4-ethoxy-3-methoxyphenyl)-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[5-chloro-2-(4-ethoxy-3-methoxyphenyl)-1H-indol-3-yl]acetic acid (CID 3944744) is 2-[5-chloro-2-(4-ethoxy-3-methoxyphenyl)-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[5-chloro-2-(4-ethoxy-3-methoxyphenyl)-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[5-chloro-2-(4-ethoxy-3-methoxyphenyl)-1H-indol-3-yl]acetic acid is CCOc1ccc(-c2[nH]c3ccc(Cl)cc3c2CC(=O)O)cc1OC.
What is the InChIKey of 2-[5-chloro-2-(4-ethoxy-3-methoxyphenyl)-1H-indol-3-yl]acetic acid?
The InChIKey is FQVAKMYLVSVAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO4/c1-3-25-16-7-4-11(8-17(16)24-2)19-14(10-18(22)23)13-9-12(20)5-6-15(13)21-19/h4-9,21H,3,10H2,1-2H3,(H,22,23).
What are the key properties of 2-[5-chloro-2-(4-ethoxy-3-methoxyphenyl)-1H-indol-3-yl]acetic acid?
2-[5-chloro-2-(4-ethoxy-3-methoxyphenyl)-1H-indol-3-yl]acetic acid has a molecular weight of 359.81 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(4-ethoxy-3-methoxyphenyl)-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 3944744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).