2-[2-(3-methoxy-4-phenylmethoxyphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid

C25H20F3NO5 — CID 5178420

IUPAC2-[2-(3-methoxy-4-phenylmethoxyphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid
SMILESCOc1cc(-c2[nH]c3ccc(OC(F)(F)F)cc3c2CC(=O)O)ccc1OCc1ccccc1
InChIInChI=1S/C25H20F3NO5/c1-32-22-11-16(7-10-21(22)33-14-15-5-3-2-4-6-15)24-19(13-23(30)31)18-12-17(34-25(26,27)28)8-9-20(18)29-24/h2-12,29H,13-14H2,1H3,(H,30,31)
InChIKeyUTUVECYTNUTBFU-UHFFFAOYSA-N
MW471.43 g/mol
LogP5.95
Rot. Bonds8

About 2-[2-(3-methoxy-4-phenylmethoxyphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid

2-[2-(3-methoxy-4-phenylmethoxyphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid (PubChem CID 5178420) has the molecular formula C25H20F3NO5 and a molecular weight of 471.43 g/mol. Its IUPAC name is 2-[2-(3-methoxy-4-phenylmethoxyphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-methoxy-4-phenylmethoxyphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid
PubChem CID5178420
Molecular FormulaC25H20F3NO5
Molecular Weight471.43 g/mol
Exact Mass471.13
IUPAC Name2-[2-(3-methoxy-4-phenylmethoxyphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid
SMILESCOc1cc(-c2[nH]c3ccc(OC(F)(F)F)cc3c2CC(=O)O)ccc1OCc1ccccc1
InChIInChI=1S/C25H20F3NO5/c1-32-22-11-16(7-10-21(22)33-14-15-5-3-2-4-6-15)24-19(13-23(30)31)18-12-17(34-25(26,27)28)8-9-20(18)29-24/h2-12,29H,13-14H2,1H3,(H,30,31)
InChIKeyUTUVECYTNUTBFU-UHFFFAOYSA-N
XLogP5.95
TPSA80.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.43
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(3-methoxy-4-phenylmethoxyphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4,6-dichloro-2-(3-methoxy-4-phenylmethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 4015261
2-[2-(2,5-dimethoxyphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid
CID 4588074
2-[2-(3-methoxy-4-phenylmethoxyphenyl)-4,6-dimethyl-1H-indol-3-yl]acetic acid
CID 4234717
2-[5-cyclohexyloxy-2-(3-ethoxy-4-phenylmethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 4551548
2-[2-(3-chlorophenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid
CID 3263255
2-[2-(3,4-diethoxyphenyl)-5-ethoxy-1H-indol-3-yl]acetic acid
CID 3921291
2-(5-methoxy-2-phenyl-1H-indol-3-yl)acetic acid
CID 3597167
2-[5-chloro-2-(4-ethoxy-3-methoxyphenyl)-1H-indol-3-yl]acetic acid
CID 3944744
2-[2-(3-ethoxy-4-methoxyphenyl)-5-ethyl-1H-indol-3-yl]acetic acid
CID 4545229
2-[5-butoxy-2-(3-fluoro-4-methoxyphenyl)-1H-indol-3-yl]acetic acid
CID 4587028
2-[2-(3-ethoxy-4-phenylmethoxyphenyl)-7-fluoro-1H-indol-3-yl]acetic acid
CID 4690514
2-[2-(3-ethoxy-4-methoxyphenyl)-5-fluoro-1H-indol-3-yl]acetic acid
CID 3572668

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxy-4-phenylmethoxyphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[2-(3-methoxy-4-phenylmethoxyphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid (CID 5178420) is 2-[2-(3-methoxy-4-phenylmethoxyphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[2-(3-methoxy-4-phenylmethoxyphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[2-(3-methoxy-4-phenylmethoxyphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid is COc1cc(-c2[nH]c3ccc(OC(F)(F)F)cc3c2CC(=O)O)ccc1OCc1ccccc1.
What is the InChIKey of 2-[2-(3-methoxy-4-phenylmethoxyphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid?
The InChIKey is UTUVECYTNUTBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3NO5/c1-32-22-11-16(7-10-21(22)33-14-15-5-3-2-4-6-15)24-19(13-23(30)31)18-12-17(34-25(26,27)28)8-9-20(18)29-24/h2-12,29H,13-14H2,1H3,(H,30,31).
What are the key properties of 2-[2-(3-methoxy-4-phenylmethoxyphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid?
2-[2-(3-methoxy-4-phenylmethoxyphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid has a molecular weight of 471.43 g/mol, XLogP of 5.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxy-4-phenylmethoxyphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 5178420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).