2-[5-chloro-2-(5-chloro-2-ethoxyphenyl)-1H-indol-3-yl]acetic acid

C18H15Cl2NO3 — CID 3974335

IUPAC2-[5-chloro-2-(5-chloro-2-ethoxyphenyl)-1H-indol-3-yl]acetic acid
SMILESCCOc1ccc(Cl)cc1-c1[nH]c2ccc(Cl)cc2c1CC(=O)O
InChIInChI=1S/C18H15Cl2NO3/c1-2-24-16-6-4-11(20)8-14(16)18-13(9-17(22)23)12-7-10(19)3-5-15(12)21-18/h3-8,21H,2,9H2,1H3,(H,22,23)
InChIKeyVQDPYDLVMUCDGP-UHFFFAOYSA-N
MW364.23 g/mol
LogP5.17
Rot. Bonds5

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

2-[5-chloro-2-(5-chloro-2-ethoxyphenyl)-1H-indol-3-yl]acetic acid (PubChem CID 3974335) has the molecular formula C18H15Cl2NO3 and a molecular weight of 364.23 g/mol. Its IUPAC name is 2-[5-chloro-2-(5-chloro-2-ethoxyphenyl)-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-chloro-2-(5-chloro-2-ethoxyphenyl)-1H-indol-3-yl]acetic acid
PubChem CID3974335
Molecular FormulaC18H15Cl2NO3
Molecular Weight364.23 g/mol
Exact Mass363.04
IUPAC Name2-[5-chloro-2-(5-chloro-2-ethoxyphenyl)-1H-indol-3-yl]acetic acid
SMILESCCOc1ccc(Cl)cc1-c1[nH]c2ccc(Cl)cc2c1CC(=O)O
InChIInChI=1S/C18H15Cl2NO3/c1-2-24-16-6-4-11(20)8-14(16)18-13(9-17(22)23)12-7-10(19)3-5-15(12)21-18/h3-8,21H,2,9H2,1H3,(H,22,23)
InChIKeyVQDPYDLVMUCDGP-UHFFFAOYSA-N
XLogP5.17
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.23
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-chloro-2-(4-ethoxy-3-methoxyphenyl)-1H-indol-3-yl]acetic acid
CID 3944744
2-[5-tert-butyl-2-(5-chloro-2-methoxyphenyl)-1H-indol-3-yl]acetic acid
CID 3537628
2-[2-(5-bromo-2-ethoxyphenyl)-5-tert-butyl-1H-indol-3-yl]acetic acid
CID 3309345
2-[5-ethoxy-2-(2-ethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 4004569
2-[2-(5-chloro-2-methoxyphenyl)-5-phenoxy-1H-indol-3-yl]acetic acid
CID 4645813
2-[5-chloro-2-(2,3-dimethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 3275365
2-[2-(5-bromo-2-ethoxyphenyl)-5-butoxy-1H-indol-3-yl]acetic acid
CID 4218766
2-[2-(3,4-diethoxyphenyl)-5-ethoxy-1H-indol-3-yl]acetic acid
CID 3921291
2-[5-ethoxy-2-(2-fluorophenyl)-1H-indol-3-yl]acetic acid
CID 4213558
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-(5-chloro-2-methoxyphenyl)-6,7-dimethyl-1H-indol-3-yl]acetic acid
CID 3378877

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(5-chloro-2-ethoxyphenyl)-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[5-chloro-2-(5-chloro-2-ethoxyphenyl)-1H-indol-3-yl]acetic acid (CID 3974335) is 2-[5-chloro-2-(5-chloro-2-ethoxyphenyl)-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[5-chloro-2-(5-chloro-2-ethoxyphenyl)-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[5-chloro-2-(5-chloro-2-ethoxyphenyl)-1H-indol-3-yl]acetic acid is CCOc1ccc(Cl)cc1-c1[nH]c2ccc(Cl)cc2c1CC(=O)O.
What is the InChIKey of 2-[5-chloro-2-(5-chloro-2-ethoxyphenyl)-1H-indol-3-yl]acetic acid?
The InChIKey is VQDPYDLVMUCDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2NO3/c1-2-24-16-6-4-11(20)8-14(16)18-13(9-17(22)23)12-7-10(19)3-5-15(12)21-18/h3-8,21H,2,9H2,1H3,(H,22,23).
What are the key properties of 2-[5-chloro-2-(5-chloro-2-ethoxyphenyl)-1H-indol-3-yl]acetic acid?
2-[5-chloro-2-(5-chloro-2-ethoxyphenyl)-1H-indol-3-yl]acetic acid has a molecular weight of 364.23 g/mol, XLogP of 5.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(5-chloro-2-ethoxyphenyl)-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 3974335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).