2-[7-propan-2-yl-2-(4-propan-2-ylphenyl)-1H-indol-3-yl]acetic acid

C22H25NO2 — CID 3264642

IUPAC2-[7-propan-2-yl-2-(4-propan-2-ylphenyl)-1H-indol-3-yl]acetic acid
SMILESCC(C)c1ccc(-c2[nH]c3c(C(C)C)cccc3c2CC(=O)O)cc1
InChIInChI=1S/C22H25NO2/c1-13(2)15-8-10-16(11-9-15)21-19(12-20(24)25)18-7-5-6-17(14(3)4)22(18)23-21/h5-11,13-14,23H,12H2,1-4H3,(H,24,25)
InChIKeyGOFQWMUDICOXRQ-UHFFFAOYSA-N
MW335.45 g/mol
LogP5.71
Rot. Bonds5

About 2-[7-propan-2-yl-2-(4-propan-2-ylphenyl)-1H-indol-3-yl]acetic acid

2-[7-propan-2-yl-2-(4-propan-2-ylphenyl)-1H-indol-3-yl]acetic acid (PubChem CID 3264642) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-[7-propan-2-yl-2-(4-propan-2-ylphenyl)-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[7-propan-2-yl-2-(4-propan-2-ylphenyl)-1H-indol-3-yl]acetic acid
PubChem CID3264642
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name2-[7-propan-2-yl-2-(4-propan-2-ylphenyl)-1H-indol-3-yl]acetic acid
SMILESCC(C)c1ccc(-c2[nH]c3c(C(C)C)cccc3c2CC(=O)O)cc1
InChIInChI=1S/C22H25NO2/c1-13(2)15-8-10-16(11-9-15)21-19(12-20(24)25)18-7-5-6-17(14(3)4)22(18)23-21/h5-11,13-14,23H,12H2,1-4H3,(H,24,25)
InChIKeyGOFQWMUDICOXRQ-UHFFFAOYSA-N
XLogP5.71
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.45
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(4-methylsulfanylphenyl)-7-propan-2-yl-1H-indol-3-yl]acetic acid
CID 3596944
2-[2-(3,4-diethoxyphenyl)-7-propan-2-yl-1H-indol-3-yl]acetic acid
CID 3258006
2-[2-(4-phenylphenyl)-5-propan-2-yl-1H-indol-3-yl]acetic acid
CID 4265168
2-[7-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]acetic acid
CID 4262211
2-[2-(2,5-dimethoxyphenyl)-7-propan-2-yl-1H-indol-3-yl]acetic acid
CID 4262212
2-[7-ethyl-2-(4-ethylphenyl)-1H-indol-3-yl]acetic acid
CID 4211114
2-[7-bromo-2-(4-chlorophenyl)-1H-indol-3-yl]acetic acid
CID 43542803
2-[2-(4-ethoxyphenyl)-7-methyl-1H-indol-3-yl]acetic acid
CID 4280037
2-[7-chloro-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid
CID 4275640
2-[5-butan-2-yl-2-(4-phenylphenyl)-1H-indol-3-yl]acetic acid
CID 5180331
2-[2-(3,4-dimethoxyphenyl)-7-fluoro-1H-indol-3-yl]acetic acid
CID 4620548
1,8-di(propan-2-yl)-9H-carbazole
CID 174295528

Frequently Asked Questions

What is the IUPAC name of 2-[7-propan-2-yl-2-(4-propan-2-ylphenyl)-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[7-propan-2-yl-2-(4-propan-2-ylphenyl)-1H-indol-3-yl]acetic acid (CID 3264642) is 2-[7-propan-2-yl-2-(4-propan-2-ylphenyl)-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[7-propan-2-yl-2-(4-propan-2-ylphenyl)-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[7-propan-2-yl-2-(4-propan-2-ylphenyl)-1H-indol-3-yl]acetic acid is CC(C)c1ccc(-c2[nH]c3c(C(C)C)cccc3c2CC(=O)O)cc1.
What is the InChIKey of 2-[7-propan-2-yl-2-(4-propan-2-ylphenyl)-1H-indol-3-yl]acetic acid?
The InChIKey is GOFQWMUDICOXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-13(2)15-8-10-16(11-9-15)21-19(12-20(24)25)18-7-5-6-17(14(3)4)22(18)23-21/h5-11,13-14,23H,12H2,1-4H3,(H,24,25).
What are the key properties of 2-[7-propan-2-yl-2-(4-propan-2-ylphenyl)-1H-indol-3-yl]acetic acid?
2-[7-propan-2-yl-2-(4-propan-2-ylphenyl)-1H-indol-3-yl]acetic acid has a molecular weight of 335.45 g/mol, XLogP of 5.71, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-propan-2-yl-2-(4-propan-2-ylphenyl)-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 3264642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).