2-(1-benzylindol-7-yl)acetic acid

C17H15NO2 — CID 115107342

IUPAC2-(1-benzylindol-7-yl)acetic acid
SMILESO=C(O)Cc1cccc2ccn(Cc3ccccc3)c12
InChIInChI=1S/C17H15NO2/c19-16(20)11-15-8-4-7-14-9-10-18(17(14)15)12-13-5-2-1-3-6-13/h1-10H,11-12H2,(H,19,20)
InChIKeyCLTPQVXAEOZMDF-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.32
Rot. Bonds4

About 2-(1-benzylindol-7-yl)acetic acid

2-(1-benzylindol-7-yl)acetic acid (PubChem CID 115107342) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(1-benzylindol-7-yl)acetic acid.

Molecular Properties

Compound Name2-(1-benzylindol-7-yl)acetic acid
PubChem CID115107342
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name2-(1-benzylindol-7-yl)acetic acid
SMILESO=C(O)Cc1cccc2ccn(Cc3ccccc3)c12
InChIInChI=1S/C17H15NO2/c19-16(20)11-15-8-4-7-14-9-10-18(17(14)15)12-13-5-2-1-3-6-13/h1-10H,11-12H2,(H,19,20)
InChIKeyCLTPQVXAEOZMDF-UHFFFAOYSA-N
XLogP3.32
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzylindol-7-yl)acetaldehyde
CID 115107333
1-benzyl-7-(2-methylpropyl)indole
CID 59836563
2-[1-(cyclopentylmethyl)indol-7-yl]acetic acid
CID 115106599
2-(7-ethylindol-1-yl)acetic acid
CID 28602716
2-(1-benzylindol-5-yl)acetic acid
CID 71441824
1-[(4-fluorophenyl)methyl]indole-7-carboxylic acid
CID 58125316
1-(1-ethylindol-7-yl)propan-2-one
CID 115106501
4-[(7-ethylindol-1-yl)methyl]-5-methylfuran-2-carboxylic acid
CID 62273625
[1-(3-phenylpropyl)indol-7-yl]methanol
CID 102911939
1-[(2-bromophenyl)methyl]-7-ethylindole
CID 116618984
naphthalene;2-phenylacetic acid
CID 174965541
3-(7-ethylindol-1-yl)-1-phenylpropan-1-one
CID 116691880

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylindol-7-yl)acetic acid?
The IUPAC name of 2-(1-benzylindol-7-yl)acetic acid (CID 115107342) is 2-(1-benzylindol-7-yl)acetic acid.
What is the SMILES notation for 2-(1-benzylindol-7-yl)acetic acid?
The canonical SMILES for 2-(1-benzylindol-7-yl)acetic acid is O=C(O)Cc1cccc2ccn(Cc3ccccc3)c12.
What is the InChIKey of 2-(1-benzylindol-7-yl)acetic acid?
The InChIKey is CLTPQVXAEOZMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c19-16(20)11-15-8-4-7-14-9-10-18(17(14)15)12-13-5-2-1-3-6-13/h1-10H,11-12H2,(H,19,20).
What are the key properties of 2-(1-benzylindol-7-yl)acetic acid?
2-(1-benzylindol-7-yl)acetic acid has a molecular weight of 265.31 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylindol-7-yl)acetic acid is sourced from PubChem (CID 115107342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).