2-[4-[(2-propylindol-1-yl)methyl]phenyl]benzoic acid

C25H23NO2 — CID 134142790

IUPAC2-[4-[(2-propylindol-1-yl)methyl]phenyl]benzoic acid
SMILESCCCc1cc2ccccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
InChIInChI=1S/C25H23NO2/c1-2-7-21-16-20-8-3-6-11-24(20)26(21)17-18-12-14-19(15-13-18)22-9-4-5-10-23(22)25(27)28/h3-6,8-16H,2,7,17H2,1H3,(H,27,28)
InChIKeyBDTRZXXBQVEPAR-UHFFFAOYSA-N
MW369.46 g/mol
LogP6.01
Rot. Bonds6

About 2-[4-[(2-propylindol-1-yl)methyl]phenyl]benzoic acid

2-[4-[(2-propylindol-1-yl)methyl]phenyl]benzoic acid (PubChem CID 134142790) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is 2-[4-[(2-propylindol-1-yl)methyl]phenyl]benzoic acid.

Molecular Properties

Compound Name2-[4-[(2-propylindol-1-yl)methyl]phenyl]benzoic acid
PubChem CID134142790
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC Name2-[4-[(2-propylindol-1-yl)methyl]phenyl]benzoic acid
SMILESCCCc1cc2ccccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
InChIInChI=1S/C25H23NO2/c1-2-7-21-16-20-8-3-6-11-24(20)26(21)17-18-12-14-19(15-13-18)22-9-4-5-10-23(22)25(27)28/h3-6,8-16H,2,7,17H2,1H3,(H,27,28)
InChIKeyBDTRZXXBQVEPAR-UHFFFAOYSA-N
XLogP6.01
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-propylindol-1-yl)methyl]phenyl]benzoic acid?
The IUPAC name of 2-[4-[(2-propylindol-1-yl)methyl]phenyl]benzoic acid (CID 134142790) is 2-[4-[(2-propylindol-1-yl)methyl]phenyl]benzoic acid.
What is the SMILES notation for 2-[4-[(2-propylindol-1-yl)methyl]phenyl]benzoic acid?
The canonical SMILES for 2-[4-[(2-propylindol-1-yl)methyl]phenyl]benzoic acid is CCCc1cc2ccccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[4-[(2-propylindol-1-yl)methyl]phenyl]benzoic acid?
The InChIKey is BDTRZXXBQVEPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO2/c1-2-7-21-16-20-8-3-6-11-24(20)26(21)17-18-12-14-19(15-13-18)22-9-4-5-10-23(22)25(27)28/h3-6,8-16H,2,7,17H2,1H3,(H,27,28).
What are the key properties of 2-[4-[(2-propylindol-1-yl)methyl]phenyl]benzoic acid?
2-[4-[(2-propylindol-1-yl)methyl]phenyl]benzoic acid has a molecular weight of 369.46 g/mol, XLogP of 6.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-propylindol-1-yl)methyl]phenyl]benzoic acid is sourced from PubChem (CID 134142790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).