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

C21H23NO — CID 170857148

IUPAC(4-methylphenyl)-(1-pentylindol-3-yl)methanone
SMILESCCCCCn1cc(C(=O)c2ccc(C)cc2)c2ccccc21
InChIInChI=1S/C21H23NO/c1-3-4-7-14-22-15-19(18-8-5-6-9-20(18)22)21(23)17-12-10-16(2)11-13-17/h5-6,8-13,15H,3-4,7,14H2,1-2H3
InChIKeyZLJNSLCZTBDMIW-UHFFFAOYSA-N
MW305.42 g/mol
LogP5.37
Rot. Bonds6

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

(4-methylphenyl)-(1-pentylindol-3-yl)methanone (PubChem CID 170857148) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is (4-methylphenyl)-(1-pentylindol-3-yl)methanone.

Molecular Properties

Compound Name(4-methylphenyl)-(1-pentylindol-3-yl)methanone
PubChem CID170857148
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name(4-methylphenyl)-(1-pentylindol-3-yl)methanone
SMILESCCCCCn1cc(C(=O)c2ccc(C)cc2)c2ccccc21
InChIInChI=1S/C21H23NO/c1-3-4-7-14-22-15-19(18-8-5-6-9-20(18)22)21(23)17-12-10-16(2)11-13-17/h5-6,8-13,15H,3-4,7,14H2,1-2H3
InChIKeyZLJNSLCZTBDMIW-UHFFFAOYSA-N
XLogP5.37
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.42
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-methylphenyl)-(1-propylindol-3-yl)methanone
CID 170857121
(1-decylindol-3-yl)-(4-iodophenyl)methanone
CID 170857204
(4-methylphenyl)-[1-(2-methylpropyl)indol-3-yl]methanone
CID 102235826
4-[3-(4-hexoxybenzoyl)indol-1-yl]butanoic acid
CID 54054546
1-butyl-3-(4-methoxybenzoyl)quinolin-4-one
CID 23634666
ethyl 4-[3-(4-methoxybenzoyl)indol-1-yl]butanoate
CID 10959466
2-(1-dodecylindol-3-yl)-2-oxoacetamide
CID 174644392
(4-ethoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 45267043
(1-decylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 170857208
(1-butan-2-ylindol-3-yl)-(4-methylphenyl)methanone
CID 170857237
[1-[3-(2-methylphenoxy)propyl]indol-3-yl]-phenylmethanone
CID 4524878
(8-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 71463154

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(1-pentylindol-3-yl)methanone?
The IUPAC name of (4-methylphenyl)-(1-pentylindol-3-yl)methanone (CID 170857148) is (4-methylphenyl)-(1-pentylindol-3-yl)methanone.
What is the SMILES notation for (4-methylphenyl)-(1-pentylindol-3-yl)methanone?
The canonical SMILES for (4-methylphenyl)-(1-pentylindol-3-yl)methanone is CCCCCn1cc(C(=O)c2ccc(C)cc2)c2ccccc21.
What is the InChIKey of (4-methylphenyl)-(1-pentylindol-3-yl)methanone?
The InChIKey is ZLJNSLCZTBDMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-3-4-7-14-22-15-19(18-8-5-6-9-20(18)22)21(23)17-12-10-16(2)11-13-17/h5-6,8-13,15H,3-4,7,14H2,1-2H3.
What are the key properties of (4-methylphenyl)-(1-pentylindol-3-yl)methanone?
(4-methylphenyl)-(1-pentylindol-3-yl)methanone has a molecular weight of 305.42 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(1-pentylindol-3-yl)methanone is sourced from PubChem (CID 170857148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).