2-[1-[(2-phenylphenyl)methyl]-2-propylindol-4-yl]oxyacetic acid

C26H25NO3 — CID 172738667

IUPAC2-[1-[(2-phenylphenyl)methyl]-2-propylindol-4-yl]oxyacetic acid
SMILESCCCc1cc2c(OCC(=O)O)cccc2n1Cc1ccccc1-c1ccccc1
InChIInChI=1S/C26H25NO3/c1-2-9-21-16-23-24(14-8-15-25(23)30-18-26(28)29)27(21)17-20-12-6-7-13-22(20)19-10-4-3-5-11-19/h3-8,10-16H,2,9,17-18H2,1H3,(H,28,29)
InChIKeyIUEILNDHORQUQB-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.77
Rot. Bonds8

About 2-[1-[(2-phenylphenyl)methyl]-2-propylindol-4-yl]oxyacetic acid

2-[1-[(2-phenylphenyl)methyl]-2-propylindol-4-yl]oxyacetic acid (PubChem CID 172738667) has the molecular formula C26H25NO3 and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-[1-[(2-phenylphenyl)methyl]-2-propylindol-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[(2-phenylphenyl)methyl]-2-propylindol-4-yl]oxyacetic acid
PubChem CID172738667
Molecular FormulaC26H25NO3
Molecular Weight399.49 g/mol
Exact Mass399.18
IUPAC Name2-[1-[(2-phenylphenyl)methyl]-2-propylindol-4-yl]oxyacetic acid
SMILESCCCc1cc2c(OCC(=O)O)cccc2n1Cc1ccccc1-c1ccccc1
InChIInChI=1S/C26H25NO3/c1-2-9-21-16-23-24(14-8-15-25(23)30-18-26(28)29)27(21)17-20-12-6-7-13-22(20)19-10-4-3-5-11-19/h3-8,10-16H,2,9,17-18H2,1H3,(H,28,29)
InChIKeyIUEILNDHORQUQB-UHFFFAOYSA-N
XLogP5.77
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-methoxy-2-propylindole
CID 16741747
3-(3-naphthalen-1-yloxypropyl)-1-[(2-phenylphenyl)methyl]indole-2-carboxylic acid
CID 67315494
2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one
CID 59170388
1-[(2-chlorophenyl)methyl]-2-propylindole-4-carboxamide
CID 22627297
3-(2-methylpropanoyl)-1-[(2-phenylphenyl)methyl]-2-propylindole-6-carboxamide
CID 22627505
2-[2,9-dimethyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]azonin-5-yl]oxyacetic acid
CID 71193809
2-(2-phenylphenoxy)-N-propylacetamide
CID 112788813
2-[3-oxamoyl-1-[(2-phenylphenyl)methyl]-2-propylindol-4-yl]-2-oxoacetic acid
CID 22359335
2-[2-ethyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetic acid
CID 16656999
2-(2-dodecylphenoxy)acetic acid
CID 572415
2-[2-[2-(methylcarbamoyl)phenyl]phenoxy]acetic acid
CID 20976229
2-(3-ethyl-2-methylphenoxy)acetic acid
CID 165357581

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-phenylphenyl)methyl]-2-propylindol-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[(2-phenylphenyl)methyl]-2-propylindol-4-yl]oxyacetic acid (CID 172738667) is 2-[1-[(2-phenylphenyl)methyl]-2-propylindol-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[(2-phenylphenyl)methyl]-2-propylindol-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[(2-phenylphenyl)methyl]-2-propylindol-4-yl]oxyacetic acid is CCCc1cc2c(OCC(=O)O)cccc2n1Cc1ccccc1-c1ccccc1.
What is the InChIKey of 2-[1-[(2-phenylphenyl)methyl]-2-propylindol-4-yl]oxyacetic acid?
The InChIKey is IUEILNDHORQUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO3/c1-2-9-21-16-23-24(14-8-15-25(23)30-18-26(28)29)27(21)17-20-12-6-7-13-22(20)19-10-4-3-5-11-19/h3-8,10-16H,2,9,17-18H2,1H3,(H,28,29).
What are the key properties of 2-[1-[(2-phenylphenyl)methyl]-2-propylindol-4-yl]oxyacetic acid?
2-[1-[(2-phenylphenyl)methyl]-2-propylindol-4-yl]oxyacetic acid has a molecular weight of 399.49 g/mol, XLogP of 5.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-phenylphenyl)methyl]-2-propylindol-4-yl]oxyacetic acid is sourced from PubChem (CID 172738667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).