(1-decylindol-3-yl)-(4-iodophenyl)methanone

C25H30INO — CID 170857204

IUPAC(1-decylindol-3-yl)-(4-iodophenyl)methanone
SMILESCCCCCCCCCCn1cc(C(=O)c2ccc(I)cc2)c2ccccc21
InChIInChI=1S/C25H30INO/c1-2-3-4-5-6-7-8-11-18-27-19-23(22-12-9-10-13-24(22)27)25(28)20-14-16-21(26)17-15-20/h9-10,12-17,19H,2-8,11,18H2,1H3
InChIKeyFGNZSQGNOUEOFW-UHFFFAOYSA-N
MW487.43 g/mol
LogP7.62
Rot. Bonds11

About (1-decylindol-3-yl)-(4-iodophenyl)methanone

(1-decylindol-3-yl)-(4-iodophenyl)methanone (PubChem CID 170857204) has the molecular formula C25H30INO and a molecular weight of 487.43 g/mol. Its IUPAC name is (1-decylindol-3-yl)-(4-iodophenyl)methanone.

Molecular Properties

Compound Name(1-decylindol-3-yl)-(4-iodophenyl)methanone
PubChem CID170857204
Molecular FormulaC25H30INO
Molecular Weight487.43 g/mol
Exact Mass487.14
IUPAC Name(1-decylindol-3-yl)-(4-iodophenyl)methanone
SMILESCCCCCCCCCCn1cc(C(=O)c2ccc(I)cc2)c2ccccc21
InChIInChI=1S/C25H30INO/c1-2-3-4-5-6-7-8-11-18-27-19-23(22-12-9-10-13-24(22)27)25(28)20-14-16-21(26)17-15-20/h9-10,12-17,19H,2-8,11,18H2,1H3
InChIKeyFGNZSQGNOUEOFW-UHFFFAOYSA-N
XLogP7.62
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.43
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-methylphenyl)-(1-pentylindol-3-yl)methanone
CID 170857148
(4-methylphenyl)-(1-propylindol-3-yl)methanone
CID 170857121
4-[3-(4-hexoxybenzoyl)indol-1-yl]butanoic acid
CID 54054546
(4-iodophenyl)-(1-prop-2-enylindol-3-yl)methanone
CID 170857263
2-(1-dodecylindol-3-yl)-2-oxoacetamide
CID 174644392
(8-iodonaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 71454234
(1-decylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 170857208
1-butyl-3-(4-methoxybenzoyl)quinolin-4-one
CID 23634666
(4-ethoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 45267043
4-(3-tridecanoylindol-1-yl)butanoic acid
CID 22400493
6-bromo-1-(1-butylindol-3-yl)hexan-1-one
CID 54167344
(8-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 71463154

Frequently Asked Questions

What is the IUPAC name of (1-decylindol-3-yl)-(4-iodophenyl)methanone?
The IUPAC name of (1-decylindol-3-yl)-(4-iodophenyl)methanone (CID 170857204) is (1-decylindol-3-yl)-(4-iodophenyl)methanone.
What is the SMILES notation for (1-decylindol-3-yl)-(4-iodophenyl)methanone?
The canonical SMILES for (1-decylindol-3-yl)-(4-iodophenyl)methanone is CCCCCCCCCCn1cc(C(=O)c2ccc(I)cc2)c2ccccc21.
What is the InChIKey of (1-decylindol-3-yl)-(4-iodophenyl)methanone?
The InChIKey is FGNZSQGNOUEOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30INO/c1-2-3-4-5-6-7-8-11-18-27-19-23(22-12-9-10-13-24(22)27)25(28)20-14-16-21(26)17-15-20/h9-10,12-17,19H,2-8,11,18H2,1H3.
What are the key properties of (1-decylindol-3-yl)-(4-iodophenyl)methanone?
(1-decylindol-3-yl)-(4-iodophenyl)methanone has a molecular weight of 487.43 g/mol, XLogP of 7.62, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-decylindol-3-yl)-(4-iodophenyl)methanone is sourced from PubChem (CID 170857204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).