1-(4-methylphenyl)-3-(1-phenylpropyl)indole

C24H23N — CID 102391084

IUPAC1-(4-methylphenyl)-3-(1-phenylpropyl)indole
SMILESCCC(c1ccccc1)c1cn(-c2ccc(C)cc2)c2ccccc12
InChIInChI=1S/C24H23N/c1-3-21(19-9-5-4-6-10-19)23-17-25(20-15-13-18(2)14-16-20)24-12-8-7-11-22(23)24/h4-17,21H,3H2,1-2H3
InChIKeyDPOQNDBYDWROPT-UHFFFAOYSA-N
MW325.46 g/mol
LogP6.48
Rot. Bonds4

About 1-(4-methylphenyl)-3-(1-phenylpropyl)indole

1-(4-methylphenyl)-3-(1-phenylpropyl)indole (PubChem CID 102391084) has the molecular formula C24H23N and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-(1-phenylpropyl)indole.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-(1-phenylpropyl)indole
PubChem CID102391084
Molecular FormulaC24H23N
Molecular Weight325.46 g/mol
Exact Mass325.18
IUPAC Name1-(4-methylphenyl)-3-(1-phenylpropyl)indole
SMILESCCC(c1ccccc1)c1cn(-c2ccc(C)cc2)c2ccccc12
InChIInChI=1S/C24H23N/c1-3-21(19-9-5-4-6-10-19)23-17-25(20-15-13-18(2)14-16-20)24-12-8-7-11-22(23)24/h4-17,21H,3H2,1-2H3
InChIKeyDPOQNDBYDWROPT-UHFFFAOYSA-N
XLogP6.48
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.46
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-(1-phenylpropyl)indole?
The IUPAC name of 1-(4-methylphenyl)-3-(1-phenylpropyl)indole (CID 102391084) is 1-(4-methylphenyl)-3-(1-phenylpropyl)indole.
What is the SMILES notation for 1-(4-methylphenyl)-3-(1-phenylpropyl)indole?
The canonical SMILES for 1-(4-methylphenyl)-3-(1-phenylpropyl)indole is CCC(c1ccccc1)c1cn(-c2ccc(C)cc2)c2ccccc12.
What is the InChIKey of 1-(4-methylphenyl)-3-(1-phenylpropyl)indole?
The InChIKey is DPOQNDBYDWROPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N/c1-3-21(19-9-5-4-6-10-19)23-17-25(20-15-13-18(2)14-16-20)24-12-8-7-11-22(23)24/h4-17,21H,3H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-3-(1-phenylpropyl)indole?
1-(4-methylphenyl)-3-(1-phenylpropyl)indole has a molecular weight of 325.46 g/mol, XLogP of 6.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-(1-phenylpropyl)indole is sourced from PubChem (CID 102391084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).