(4-methoxyphenyl)-(1-pentylindol-3-yl)methanone

C21H23NO2 — CID 56841530

IUPAC(4-methoxyphenyl)-(1-pentylindol-3-yl)methanone
SMILESCCCCCn1cc(C(=O)c2ccc(OC)cc2)c2ccccc21
InChIInChI=1S/C21H23NO2/c1-3-4-7-14-22-15-19(18-8-5-6-9-20(18)22)21(23)16-10-12-17(24-2)13-11-16/h5-6,8-13,15H,3-4,7,14H2,1-2H3
InChIKeyOZCYJKDWRUIFFE-UHFFFAOYSA-N
MW321.42 g/mol
LogP5.07
Rot. Bonds7

About (4-methoxyphenyl)-(1-pentylindol-3-yl)methanone

(4-methoxyphenyl)-(1-pentylindol-3-yl)methanone (PubChem CID 56841530) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is (4-methoxyphenyl)-(1-pentylindol-3-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(1-pentylindol-3-yl)methanone
PubChem CID56841530
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name(4-methoxyphenyl)-(1-pentylindol-3-yl)methanone
SMILESCCCCCn1cc(C(=O)c2ccc(OC)cc2)c2ccccc21
InChIInChI=1S/C21H23NO2/c1-3-4-7-14-22-15-19(18-8-5-6-9-20(18)22)21(23)16-10-12-17(24-2)13-11-16/h5-6,8-13,15H,3-4,7,14H2,1-2H3
InChIKeyOZCYJKDWRUIFFE-UHFFFAOYSA-N
XLogP5.07
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.42
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(1-pentylindol-3-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(1-pentylindol-3-yl)methanone (CID 56841530) is (4-methoxyphenyl)-(1-pentylindol-3-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(1-pentylindol-3-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(1-pentylindol-3-yl)methanone is CCCCCn1cc(C(=O)c2ccc(OC)cc2)c2ccccc21.
What is the InChIKey of (4-methoxyphenyl)-(1-pentylindol-3-yl)methanone?
The InChIKey is OZCYJKDWRUIFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-3-4-7-14-22-15-19(18-8-5-6-9-20(18)22)21(23)16-10-12-17(24-2)13-11-16/h5-6,8-13,15H,3-4,7,14H2,1-2H3.
What are the key properties of (4-methoxyphenyl)-(1-pentylindol-3-yl)methanone?
(4-methoxyphenyl)-(1-pentylindol-3-yl)methanone has a molecular weight of 321.42 g/mol, XLogP of 5.07, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(1-pentylindol-3-yl)methanone is sourced from PubChem (CID 56841530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).