2-[2-ethyl-3-[(4-phenylphenyl)methyl]indolizin-8-yl]oxyacetic acid

C25H23NO3 — CID 154447443

IUPAC2-[2-ethyl-3-[(4-phenylphenyl)methyl]indolizin-8-yl]oxyacetic acid
SMILESCCc1cc2c(OCC(=O)O)cccn2c1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H23NO3/c1-2-19-16-23-24(29-17-25(27)28)9-6-14-26(23)22(19)15-18-10-12-21(13-11-18)20-7-4-3-5-8-20/h3-14,16H,2,15,17H2,1H3,(H,27,28)
InChIKeyOROKZJSEDLJTNW-UHFFFAOYSA-N
MW385.46 g/mol
LogP5.22
Rot. Bonds7

About 2-[2-ethyl-3-[(4-phenylphenyl)methyl]indolizin-8-yl]oxyacetic acid

2-[2-ethyl-3-[(4-phenylphenyl)methyl]indolizin-8-yl]oxyacetic acid (PubChem CID 154447443) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is 2-[2-ethyl-3-[(4-phenylphenyl)methyl]indolizin-8-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[2-ethyl-3-[(4-phenylphenyl)methyl]indolizin-8-yl]oxyacetic acid
PubChem CID154447443
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC Name2-[2-ethyl-3-[(4-phenylphenyl)methyl]indolizin-8-yl]oxyacetic acid
SMILESCCc1cc2c(OCC(=O)O)cccn2c1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H23NO3/c1-2-19-16-23-24(29-17-25(27)28)9-6-14-26(23)22(19)15-18-10-12-21(13-11-18)20-7-4-3-5-8-20/h3-14,16H,2,15,17H2,1H3,(H,27,28)
InChIKeyOROKZJSEDLJTNW-UHFFFAOYSA-N
XLogP5.22
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.46
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-ethyl-1-(oxaldehydoylamino)-3-[(2-phenylphenyl)methyl]indolizin-8-yl]oxyacetic acid
CID 54321841
2-[8-carbamoyl-7-ethyl-3-methyl-6-[(4-phenylphenyl)methyl]pyrrolo[1,2-a]pyrazin-1-yl]oxyacetic acid
CID 10160635
(2-ethyl-8-phenylmethoxyindolizin-3-yl)-(3-thiophen-2-ylthiophen-2-yl)methanone
CID 10836985
2-[[carboxy(hydroxy)methyl]-[2-[8-(carboxymethoxy)-2-ethyl-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetyl]amino]-2-hydroxyacetic acid
CID 57001061
4-(3-benzyl-2-ethyl-1-oxamoylindolizin-8-yl)oxybutanoic acid
CID 20592756
2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate
CID 121199307
2-[2-ethyl-4-(hydroxymethyl)phenoxy]acetic acid
CID 18448337
ethyl 3-benzyl-2-methyl-8-phenylmethoxyindolizine-1-carboxylate
CID 10644615
ethyl 2-[4-(4-hydroxyphenyl)-2-[(4-phenylphenyl)methyl]phenoxy]acetate
CID 73333943
2-(3-ethyl-2-methylphenoxy)acetic acid
CID 165357581
2-[2-ethyl-3-(naphthalen-2-ylmethyl)-8-phenylmethoxyindolizin-1-yl]-2-oxoacetamide
CID 10576018
2-(2-ethylsulfonylphenoxy)acetic acid
CID 114335185

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-3-[(4-phenylphenyl)methyl]indolizin-8-yl]oxyacetic acid?
The IUPAC name of 2-[2-ethyl-3-[(4-phenylphenyl)methyl]indolizin-8-yl]oxyacetic acid (CID 154447443) is 2-[2-ethyl-3-[(4-phenylphenyl)methyl]indolizin-8-yl]oxyacetic acid.
What is the SMILES notation for 2-[2-ethyl-3-[(4-phenylphenyl)methyl]indolizin-8-yl]oxyacetic acid?
The canonical SMILES for 2-[2-ethyl-3-[(4-phenylphenyl)methyl]indolizin-8-yl]oxyacetic acid is CCc1cc2c(OCC(=O)O)cccn2c1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[2-ethyl-3-[(4-phenylphenyl)methyl]indolizin-8-yl]oxyacetic acid?
The InChIKey is OROKZJSEDLJTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO3/c1-2-19-16-23-24(29-17-25(27)28)9-6-14-26(23)22(19)15-18-10-12-21(13-11-18)20-7-4-3-5-8-20/h3-14,16H,2,15,17H2,1H3,(H,27,28).
What are the key properties of 2-[2-ethyl-3-[(4-phenylphenyl)methyl]indolizin-8-yl]oxyacetic acid?
2-[2-ethyl-3-[(4-phenylphenyl)methyl]indolizin-8-yl]oxyacetic acid has a molecular weight of 385.46 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-3-[(4-phenylphenyl)methyl]indolizin-8-yl]oxyacetic acid is sourced from PubChem (CID 154447443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).