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

C23H18ClNO4 — CID 4645813

IUPAC2-[2-(5-chloro-2-methoxyphenyl)-5-phenoxy-1H-indol-3-yl]acetic acid
SMILESCOc1ccc(Cl)cc1-c1[nH]c2ccc(Oc3ccccc3)cc2c1CC(=O)O
InChIInChI=1S/C23H18ClNO4/c1-28-21-10-7-14(24)11-19(21)23-18(13-22(26)27)17-12-16(8-9-20(17)25-23)29-15-5-3-2-4-6-15/h2-12,25H,13H2,1H3,(H,26,27)
InChIKeyKRRBWFOHAJIZOY-UHFFFAOYSA-N
MW407.85 g/mol
LogP5.92
Rot. Bonds6

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

2-[2-(5-chloro-2-methoxyphenyl)-5-phenoxy-1H-indol-3-yl]acetic acid (PubChem CID 4645813) has the molecular formula C23H18ClNO4 and a molecular weight of 407.85 g/mol. Its IUPAC name is 2-[2-(5-chloro-2-methoxyphenyl)-5-phenoxy-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(5-chloro-2-methoxyphenyl)-5-phenoxy-1H-indol-3-yl]acetic acid
PubChem CID4645813
Molecular FormulaC23H18ClNO4
Molecular Weight407.85 g/mol
Exact Mass407.09
IUPAC Name2-[2-(5-chloro-2-methoxyphenyl)-5-phenoxy-1H-indol-3-yl]acetic acid
SMILESCOc1ccc(Cl)cc1-c1[nH]c2ccc(Oc3ccccc3)cc2c1CC(=O)O
InChIInChI=1S/C23H18ClNO4/c1-28-21-10-7-14(24)11-19(21)23-18(13-22(26)27)17-12-16(8-9-20(17)25-23)29-15-5-3-2-4-6-15/h2-12,25H,13H2,1H3,(H,26,27)
InChIKeyKRRBWFOHAJIZOY-UHFFFAOYSA-N
XLogP5.92
TPSA71.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.85
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(5-chloro-2-methoxyphenyl)-5-phenoxy-1H-indol-3-yl]butan-1-amine
CID 3539638
2-[5-tert-butyl-2-(5-chloro-2-methoxyphenyl)-1H-indol-3-yl]acetic acid
CID 3537628
2-[5-chloro-2-(2,3-dimethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 3275365
2-[5-chloro-2-(5-chloro-2-ethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 3974335
3-(carboxymethyl)-2-(2,5-dimethoxyphenyl)-1H-indole-5-carboxylic acid
CID 4233238
2-[2-(2,5-dimethoxyphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid
CID 4588074
N-[2-[2-(5-chloro-2-methoxyphenyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide
CID 58946204
2-(5-methoxy-2-phenyl-1H-indol-3-yl)acetic acid
CID 3597167
2-[2-(4-methylsulfanylphenyl)-5-phenoxy-1H-indol-3-yl]acetic acid
CID 3537629
2-[2-(5-chloro-2-methoxyphenyl)-6,7-dimethyl-1H-indol-3-yl]acetic acid
CID 3378877
2-[2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 5132997
2-[5-chloro-2-(4-ethoxy-3-methoxyphenyl)-1H-indol-3-yl]acetic acid
CID 3944744

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chloro-2-methoxyphenyl)-5-phenoxy-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[2-(5-chloro-2-methoxyphenyl)-5-phenoxy-1H-indol-3-yl]acetic acid (CID 4645813) is 2-[2-(5-chloro-2-methoxyphenyl)-5-phenoxy-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[2-(5-chloro-2-methoxyphenyl)-5-phenoxy-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[2-(5-chloro-2-methoxyphenyl)-5-phenoxy-1H-indol-3-yl]acetic acid is COc1ccc(Cl)cc1-c1[nH]c2ccc(Oc3ccccc3)cc2c1CC(=O)O.
What is the InChIKey of 2-[2-(5-chloro-2-methoxyphenyl)-5-phenoxy-1H-indol-3-yl]acetic acid?
The InChIKey is KRRBWFOHAJIZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO4/c1-28-21-10-7-14(24)11-19(21)23-18(13-22(26)27)17-12-16(8-9-20(17)25-23)29-15-5-3-2-4-6-15/h2-12,25H,13H2,1H3,(H,26,27).
What are the key properties of 2-[2-(5-chloro-2-methoxyphenyl)-5-phenoxy-1H-indol-3-yl]acetic acid?
2-[2-(5-chloro-2-methoxyphenyl)-5-phenoxy-1H-indol-3-yl]acetic acid has a molecular weight of 407.85 g/mol, XLogP of 5.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chloro-2-methoxyphenyl)-5-phenoxy-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 4645813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).