2-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)acetic acid

C16H17NO2 — CID 134097284

IUPAC2-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)acetic acid
SMILESO=C(O)Cn1c(-c2ccccc2)cc2c1CCCC2
InChIInChI=1S/C16H17NO2/c18-16(19)11-17-14-9-5-4-8-13(14)10-15(17)12-6-2-1-3-7-12/h1-3,6-7,10H,4-5,8-9,11H2,(H,18,19)
InChIKeyXCNMDZDKPPIKEO-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.12
Rot. Bonds3

About 2-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)acetic acid

2-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)acetic acid (PubChem CID 134097284) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)acetic acid
PubChem CID134097284
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)acetic acid
SMILESO=C(O)Cn1c(-c2ccccc2)cc2c1CCCC2
InChIInChI=1S/C16H17NO2/c18-16(19)11-17-14-9-5-4-8-13(14)10-15(17)12-6-2-1-3-7-12/h1-3,6-7,10H,4-5,8-9,11H2,(H,18,19)
InChIKeyXCNMDZDKPPIKEO-UHFFFAOYSA-N
XLogP3.12
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)acetic acid?
The IUPAC name of 2-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)acetic acid (CID 134097284) is 2-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)acetic acid.
What is the SMILES notation for 2-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)acetic acid?
The canonical SMILES for 2-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)acetic acid is O=C(O)Cn1c(-c2ccccc2)cc2c1CCCC2.
What is the InChIKey of 2-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)acetic acid?
The InChIKey is XCNMDZDKPPIKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c18-16(19)11-17-14-9-5-4-8-13(14)10-15(17)12-6-2-1-3-7-12/h1-3,6-7,10H,4-5,8-9,11H2,(H,18,19).
What are the key properties of 2-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)acetic acid?
2-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)acetic acid has a molecular weight of 255.32 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)acetic acid is sourced from PubChem (CID 134097284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).