2-[7-fluoro-2-(3-phenoxyphenyl)-1H-indol-3-yl]acetic acid

C22H16FNO3 — CID 5030612

IUPAC2-[7-fluoro-2-(3-phenoxyphenyl)-1H-indol-3-yl]acetic acid
SMILESO=C(O)Cc1c(-c2cccc(Oc3ccccc3)c2)[nH]c2c(F)cccc12
InChIInChI=1S/C22H16FNO3/c23-19-11-5-10-17-18(13-20(25)26)21(24-22(17)19)14-6-4-9-16(12-14)27-15-7-2-1-3-8-15/h1-12,24H,13H2,(H,25,26)
InChIKeyAHXVGYJRWZYDBE-UHFFFAOYSA-N
MW361.37 g/mol
LogP5.39
Rot. Bonds5

About 2-[7-fluoro-2-(3-phenoxyphenyl)-1H-indol-3-yl]acetic acid

2-[7-fluoro-2-(3-phenoxyphenyl)-1H-indol-3-yl]acetic acid (PubChem CID 5030612) has the molecular formula C22H16FNO3 and a molecular weight of 361.37 g/mol. Its IUPAC name is 2-[7-fluoro-2-(3-phenoxyphenyl)-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[7-fluoro-2-(3-phenoxyphenyl)-1H-indol-3-yl]acetic acid
PubChem CID5030612
Molecular FormulaC22H16FNO3
Molecular Weight361.37 g/mol
Exact Mass361.11
IUPAC Name2-[7-fluoro-2-(3-phenoxyphenyl)-1H-indol-3-yl]acetic acid
SMILESO=C(O)Cc1c(-c2cccc(Oc3ccccc3)c2)[nH]c2c(F)cccc12
InChIInChI=1S/C22H16FNO3/c23-19-11-5-10-17-18(13-20(25)26)21(24-22(17)19)14-6-4-9-16(12-14)27-15-7-2-1-3-8-15/h1-12,24H,13H2,(H,25,26)
InChIKeyAHXVGYJRWZYDBE-UHFFFAOYSA-N
XLogP5.39
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.37
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(3,4-dimethoxyphenyl)-7-fluoro-1H-indol-3-yl]acetic acid
CID 4620548
2-[2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-7-fluoro-1H-indol-3-yl]acetic acid
CID 5236323
2-[5-butoxy-2-(3-phenoxyphenyl)-1H-indol-3-yl]acetic acid
CID 3948737
2-[2-(3-ethoxy-4-phenylmethoxyphenyl)-7-fluoro-1H-indol-3-yl]acetic acid
CID 4690514
2-[2-(2,5-dimethoxyphenyl)-7-fluoro-1H-indol-3-yl]acetic acid
CID 4021038
4-[7-methyl-2-(3-phenoxyphenyl)-1H-indol-3-yl]butan-1-amine
CID 3895862
2-[2-(4-methylsulfanylphenyl)-5-phenoxy-1H-indol-3-yl]acetic acid
CID 3537629
2-[2-(3-ethoxyphenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid
CID 4306468
2-[2-(3-bromophenyl)-1H-indol-3-yl]acetic acid
CID 3506906
2-[7-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]acetic acid
CID 4262211
2-[2-(3-ethoxyphenyl)-5-iodo-1H-indol-3-yl]acetic acid
CID 3475473
2-[5-bromo-2-(3-ethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 4017002

Frequently Asked Questions

What is the IUPAC name of 2-[7-fluoro-2-(3-phenoxyphenyl)-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[7-fluoro-2-(3-phenoxyphenyl)-1H-indol-3-yl]acetic acid (CID 5030612) is 2-[7-fluoro-2-(3-phenoxyphenyl)-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[7-fluoro-2-(3-phenoxyphenyl)-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[7-fluoro-2-(3-phenoxyphenyl)-1H-indol-3-yl]acetic acid is O=C(O)Cc1c(-c2cccc(Oc3ccccc3)c2)[nH]c2c(F)cccc12.
What is the InChIKey of 2-[7-fluoro-2-(3-phenoxyphenyl)-1H-indol-3-yl]acetic acid?
The InChIKey is AHXVGYJRWZYDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FNO3/c23-19-11-5-10-17-18(13-20(25)26)21(24-22(17)19)14-6-4-9-16(12-14)27-15-7-2-1-3-8-15/h1-12,24H,13H2,(H,25,26).
What are the key properties of 2-[7-fluoro-2-(3-phenoxyphenyl)-1H-indol-3-yl]acetic acid?
2-[7-fluoro-2-(3-phenoxyphenyl)-1H-indol-3-yl]acetic acid has a molecular weight of 361.37 g/mol, XLogP of 5.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-fluoro-2-(3-phenoxyphenyl)-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 5030612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).