2-[2-(4-phenylphenyl)-5-propan-2-yl-1H-indol-3-yl]acetic acid

C25H23NO2 — CID 4265168

IUPAC2-[2-(4-phenylphenyl)-5-propan-2-yl-1H-indol-3-yl]acetic acid
SMILESCC(C)c1ccc2[nH]c(-c3ccc(-c4ccccc4)cc3)c(CC(=O)O)c2c1
InChIInChI=1S/C25H23NO2/c1-16(2)20-12-13-23-21(14-20)22(15-24(27)28)25(26-23)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-14,16,26H,15H2,1-2H3,(H,27,28)
InChIKeyJWOKBSCGQCYRIH-UHFFFAOYSA-N
MW369.46 g/mol
LogP6.25
Rot. Bonds5

About 2-[2-(4-phenylphenyl)-5-propan-2-yl-1H-indol-3-yl]acetic acid

2-[2-(4-phenylphenyl)-5-propan-2-yl-1H-indol-3-yl]acetic acid (PubChem CID 4265168) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is 2-[2-(4-phenylphenyl)-5-propan-2-yl-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-phenylphenyl)-5-propan-2-yl-1H-indol-3-yl]acetic acid
PubChem CID4265168
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC Name2-[2-(4-phenylphenyl)-5-propan-2-yl-1H-indol-3-yl]acetic acid
SMILESCC(C)c1ccc2[nH]c(-c3ccc(-c4ccccc4)cc3)c(CC(=O)O)c2c1
InChIInChI=1S/C25H23NO2/c1-16(2)20-12-13-23-21(14-20)22(15-24(27)28)25(26-23)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-14,16,26H,15H2,1-2H3,(H,27,28)
InChIKeyJWOKBSCGQCYRIH-UHFFFAOYSA-N
XLogP6.25
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-phenylphenyl)-5-propan-2-yl-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[2-(4-phenylphenyl)-5-propan-2-yl-1H-indol-3-yl]acetic acid (CID 4265168) is 2-[2-(4-phenylphenyl)-5-propan-2-yl-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-phenylphenyl)-5-propan-2-yl-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[2-(4-phenylphenyl)-5-propan-2-yl-1H-indol-3-yl]acetic acid is CC(C)c1ccc2[nH]c(-c3ccc(-c4ccccc4)cc3)c(CC(=O)O)c2c1.
What is the InChIKey of 2-[2-(4-phenylphenyl)-5-propan-2-yl-1H-indol-3-yl]acetic acid?
The InChIKey is JWOKBSCGQCYRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO2/c1-16(2)20-12-13-23-21(14-20)22(15-24(27)28)25(26-23)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-14,16,26H,15H2,1-2H3,(H,27,28).
What are the key properties of 2-[2-(4-phenylphenyl)-5-propan-2-yl-1H-indol-3-yl]acetic acid?
2-[2-(4-phenylphenyl)-5-propan-2-yl-1H-indol-3-yl]acetic acid has a molecular weight of 369.46 g/mol, XLogP of 6.25, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-phenylphenyl)-5-propan-2-yl-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 4265168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).