[4-[3-(2-methyl-1H-indol-3-yl)propyl]phenyl]-phenylmethanone

C25H23NO — CID 151323459

IUPAC[4-[3-(2-methyl-1H-indol-3-yl)propyl]phenyl]-phenylmethanone
SMILESCc1[nH]c2ccccc2c1CCCc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C25H23NO/c1-18-22(23-11-5-6-13-24(23)26-18)12-7-8-19-14-16-21(17-15-19)25(27)20-9-3-2-4-10-20/h2-6,9-11,13-17,26H,7-8,12H2,1H3
InChIKeyOGYFWCIVIUDLQD-UHFFFAOYSA-N
MW353.47 g/mol
LogP5.88
Rot. Bonds6

About [4-[3-(2-methyl-1H-indol-3-yl)propyl]phenyl]-phenylmethanone

[4-[3-(2-methyl-1H-indol-3-yl)propyl]phenyl]-phenylmethanone (PubChem CID 151323459) has the molecular formula C25H23NO and a molecular weight of 353.47 g/mol. Its IUPAC name is [4-[3-(2-methyl-1H-indol-3-yl)propyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[3-(2-methyl-1H-indol-3-yl)propyl]phenyl]-phenylmethanone
PubChem CID151323459
Molecular FormulaC25H23NO
Molecular Weight353.47 g/mol
Exact Mass353.18
IUPAC Name[4-[3-(2-methyl-1H-indol-3-yl)propyl]phenyl]-phenylmethanone
SMILESCc1[nH]c2ccccc2c1CCCc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C25H23NO/c1-18-22(23-11-5-6-13-24(23)26-18)12-7-8-19-14-16-21(17-15-19)25(27)20-9-3-2-4-10-20/h2-6,9-11,13-17,26H,7-8,12H2,1H3
InChIKeyOGYFWCIVIUDLQD-UHFFFAOYSA-N
XLogP5.88
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(2-methyl-1H-indol-3-yl)propyl]phenyl]-phenylmethanone?
The IUPAC name of [4-[3-(2-methyl-1H-indol-3-yl)propyl]phenyl]-phenylmethanone (CID 151323459) is [4-[3-(2-methyl-1H-indol-3-yl)propyl]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[3-(2-methyl-1H-indol-3-yl)propyl]phenyl]-phenylmethanone?
The canonical SMILES for [4-[3-(2-methyl-1H-indol-3-yl)propyl]phenyl]-phenylmethanone is Cc1[nH]c2ccccc2c1CCCc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of [4-[3-(2-methyl-1H-indol-3-yl)propyl]phenyl]-phenylmethanone?
The InChIKey is OGYFWCIVIUDLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO/c1-18-22(23-11-5-6-13-24(23)26-18)12-7-8-19-14-16-21(17-15-19)25(27)20-9-3-2-4-10-20/h2-6,9-11,13-17,26H,7-8,12H2,1H3.
What are the key properties of [4-[3-(2-methyl-1H-indol-3-yl)propyl]phenyl]-phenylmethanone?
[4-[3-(2-methyl-1H-indol-3-yl)propyl]phenyl]-phenylmethanone has a molecular weight of 353.47 g/mol, XLogP of 5.88, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(2-methyl-1H-indol-3-yl)propyl]phenyl]-phenylmethanone is sourced from PubChem (CID 151323459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).