2-[5-hydroxy-2-(4-phenoxybenzoyl)indol-1-yl]acetic acid

C23H17NO5 — CID 44815450

IUPAC2-[5-hydroxy-2-(4-phenoxybenzoyl)indol-1-yl]acetic acid
SMILESO=C(O)Cn1c(C(=O)c2ccc(Oc3ccccc3)cc2)cc2cc(O)ccc21
InChIInChI=1S/C23H17NO5/c25-17-8-11-20-16(12-17)13-21(24(20)14-22(26)27)23(28)15-6-9-19(10-7-15)29-18-4-2-1-3-5-18/h1-13,25H,14H2,(H,26,27)
InChIKeyNYTPVHJBAUALTO-UHFFFAOYSA-N
MW387.39 g/mol
LogP4.45
Rot. Bonds6

About 2-[5-hydroxy-2-(4-phenoxybenzoyl)indol-1-yl]acetic acid

2-[5-hydroxy-2-(4-phenoxybenzoyl)indol-1-yl]acetic acid (PubChem CID 44815450) has the molecular formula C23H17NO5 and a molecular weight of 387.39 g/mol. Its IUPAC name is 2-[5-hydroxy-2-(4-phenoxybenzoyl)indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-hydroxy-2-(4-phenoxybenzoyl)indol-1-yl]acetic acid
PubChem CID44815450
Molecular FormulaC23H17NO5
Molecular Weight387.39 g/mol
Exact Mass387.11
IUPAC Name2-[5-hydroxy-2-(4-phenoxybenzoyl)indol-1-yl]acetic acid
SMILESO=C(O)Cn1c(C(=O)c2ccc(Oc3ccccc3)cc2)cc2cc(O)ccc21
InChIInChI=1S/C23H17NO5/c25-17-8-11-20-16(12-17)13-21(24(20)14-22(26)27)23(28)15-6-9-19(10-7-15)29-18-4-2-1-3-5-18/h1-13,25H,14H2,(H,26,27)
InChIKeyNYTPVHJBAUALTO-UHFFFAOYSA-N
XLogP4.45
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-phenoxy-1-prop-2-enylindole-2-carboxylic acid
CID 83968505
[3,5-bis(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 11571089
2-(2-oxo-6-phenoxy-1,3-benzothiazol-3-yl)acetic acid
CID 13097111
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
4-phenoxyphenol;propanoic acid
CID 67658817
5-hydroxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid
CID 175952620
[4-(4-hydroxyphenoxy)phenyl]-(3-hydroxyphenyl)methanone
CID 86171733
(4-phenoxyphenyl)-[4-(4-phenoxyphenyl)phenyl]methanone
CID 134445747
tert-butyl 5-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxy-2-(4-phenoxybenzoyl)indole-1-carboxylate
CID 149434005
2-[2-benzoyl-4-(4-methoxybenzoyl)pyrrol-1-yl]acetic acid
CID 11132221
2-[2-[4-(3,5-dimethylphenoxy)phenyl]benzimidazol-1-yl]acetic acid
CID 22683212

Frequently Asked Questions

What is the IUPAC name of 2-[5-hydroxy-2-(4-phenoxybenzoyl)indol-1-yl]acetic acid?
The IUPAC name of 2-[5-hydroxy-2-(4-phenoxybenzoyl)indol-1-yl]acetic acid (CID 44815450) is 2-[5-hydroxy-2-(4-phenoxybenzoyl)indol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-hydroxy-2-(4-phenoxybenzoyl)indol-1-yl]acetic acid?
The canonical SMILES for 2-[5-hydroxy-2-(4-phenoxybenzoyl)indol-1-yl]acetic acid is O=C(O)Cn1c(C(=O)c2ccc(Oc3ccccc3)cc2)cc2cc(O)ccc21.
What is the InChIKey of 2-[5-hydroxy-2-(4-phenoxybenzoyl)indol-1-yl]acetic acid?
The InChIKey is NYTPVHJBAUALTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO5/c25-17-8-11-20-16(12-17)13-21(24(20)14-22(26)27)23(28)15-6-9-19(10-7-15)29-18-4-2-1-3-5-18/h1-13,25H,14H2,(H,26,27).
What are the key properties of 2-[5-hydroxy-2-(4-phenoxybenzoyl)indol-1-yl]acetic acid?
2-[5-hydroxy-2-(4-phenoxybenzoyl)indol-1-yl]acetic acid has a molecular weight of 387.39 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-hydroxy-2-(4-phenoxybenzoyl)indol-1-yl]acetic acid is sourced from PubChem (CID 44815450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).