4-(2-phenylethyl)-1H-indole-3-carboxylic acid

C17H15NO2 — CID 174560063

IUPAC4-(2-phenylethyl)-1H-indole-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2cccc(CCc3ccccc3)c12
InChIInChI=1S/C17H15NO2/c19-17(20)14-11-18-15-8-4-7-13(16(14)15)10-9-12-5-2-1-3-6-12/h1-8,11,18H,9-10H2,(H,19,20)
InChIKeyCFWZUQNRNAYYAQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.65
Rot. Bonds4

About 4-(2-phenylethyl)-1H-indole-3-carboxylic acid

4-(2-phenylethyl)-1H-indole-3-carboxylic acid (PubChem CID 174560063) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-(2-phenylethyl)-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-phenylethyl)-1H-indole-3-carboxylic acid
PubChem CID174560063
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name4-(2-phenylethyl)-1H-indole-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2cccc(CCc3ccccc3)c12
InChIInChI=1S/C17H15NO2/c19-17(20)14-11-18-15-8-4-7-13(16(14)15)10-9-12-5-2-1-3-6-12/h1-8,11,18H,9-10H2,(H,19,20)
InChIKeyCFWZUQNRNAYYAQ-UHFFFAOYSA-N
XLogP3.65
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-1H-indol-3-yl)-2-phenylethanone
CID 82792772
4-methylsulfanyl-1H-indole-3-carboxylic acid
CID 83916577
2-[2-(4-fluorophenyl)ethyl]benzoic acid
CID 22015801
1-(4-phenylmethoxy-1H-indol-3-yl)ethanone
CID 158905078
3-(ethylsulfonylmethyl)-1H-indole-4-carboxylic acid
CID 117171550
2-[2-(3-carboxyphenyl)ethyl]benzoic acid
CID 22404884
2-(2-phenylethyl)-1H-pyrrole-3-carboxylic acid
CID 84756212
3-amino-1H-indole-4-carboxylic acid
CID 83481883
2-(4-fluoro-1H-indole-3-carbonyl)benzoic acid
CID 82782160
2-(4-bromo-1H-indole-3-carbonyl)benzoic acid
CID 115351658
3-[(2-chlorophenoxy)methyl]-1H-indole-4-carboxylic acid
CID 117171560
2-(2-chlorophenyl)-1-(4-methyl-1H-indol-3-yl)ethanone
CID 43163365

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethyl)-1H-indole-3-carboxylic acid?
The IUPAC name of 4-(2-phenylethyl)-1H-indole-3-carboxylic acid (CID 174560063) is 4-(2-phenylethyl)-1H-indole-3-carboxylic acid.
What is the SMILES notation for 4-(2-phenylethyl)-1H-indole-3-carboxylic acid?
The canonical SMILES for 4-(2-phenylethyl)-1H-indole-3-carboxylic acid is O=C(O)c1c[nH]c2cccc(CCc3ccccc3)c12.
What is the InChIKey of 4-(2-phenylethyl)-1H-indole-3-carboxylic acid?
The InChIKey is CFWZUQNRNAYYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c19-17(20)14-11-18-15-8-4-7-13(16(14)15)10-9-12-5-2-1-3-6-12/h1-8,11,18H,9-10H2,(H,19,20).
What are the key properties of 4-(2-phenylethyl)-1H-indole-3-carboxylic acid?
4-(2-phenylethyl)-1H-indole-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethyl)-1H-indole-3-carboxylic acid is sourced from PubChem (CID 174560063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).