1-decoxy-4-(4-methoxyphenyl)iodanuidylbenzene

C23H32IO2- — CID 58226263

IUPAC1-decoxy-4-(4-methoxyphenyl)iodanuidylbenzene
SMILESCCCCCCCCCCOc1ccc([I-]c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H32IO2/c1-3-4-5-6-7-8-9-10-19-26-23-17-13-21(14-18-23)24-20-11-15-22(25-2)16-12-20/h11-18H,3-10,19H2,1-2H3/q-1
InChIKeyMOIRHZQNLSJKRO-UHFFFAOYSA-N
MW467.41 g/mol
LogP3.34
Rot. Bonds13

About 1-decoxy-4-(4-methoxyphenyl)iodanuidylbenzene

1-decoxy-4-(4-methoxyphenyl)iodanuidylbenzene (PubChem CID 58226263) has the molecular formula C23H32IO2- and a molecular weight of 467.41 g/mol. Its IUPAC name is 1-decoxy-4-(4-methoxyphenyl)iodanuidylbenzene.

Molecular Properties

Compound Name1-decoxy-4-(4-methoxyphenyl)iodanuidylbenzene
PubChem CID58226263
Molecular FormulaC23H32IO2-
Molecular Weight467.41 g/mol
Exact Mass467.15
IUPAC Name1-decoxy-4-(4-methoxyphenyl)iodanuidylbenzene
SMILESCCCCCCCCCCOc1ccc([I-]c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H32IO2/c1-3-4-5-6-7-8-9-10-19-26-23-17-13-21(14-18-23)24-20-11-15-22(25-2)16-12-20/h11-18H,3-10,19H2,1-2H3/q-1
InChIKeyMOIRHZQNLSJKRO-UHFFFAOYSA-N
XLogP3.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.41
LogP ≤ 53.34
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

1-methoxy-4-tetradecoxybenzene
CID 91712423
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
4-methoxy-N-(4-methoxyphenyl)-N-(4-octadecoxyphenyl)aniline
CID 139670157
1-[2-(2-hexoxyethoxy)ethoxy]-4-methoxybenzene
CID 58828240
1,3,5-trimethoxy-2-(4-octoxyphenyl)iodanuidylbenzene hexafluorophosphate
CID 162330163
1,4-dipentoxybenzene
CID 18314717
N-butyl-5-(4-methoxyphenoxy)pentan-1-amine
CID 2248889
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
(NZ)-N-[(4-methoxyphenyl)-(4-octoxyphenyl)methylidene]hydroxylamine
CID 6087643
1-butoxy-4-[(4-methoxyphenyl)methyl]benzene
CID 145063136

Frequently Asked Questions

What is the IUPAC name of 1-decoxy-4-(4-methoxyphenyl)iodanuidylbenzene?
The IUPAC name of 1-decoxy-4-(4-methoxyphenyl)iodanuidylbenzene (CID 58226263) is 1-decoxy-4-(4-methoxyphenyl)iodanuidylbenzene.
What is the SMILES notation for 1-decoxy-4-(4-methoxyphenyl)iodanuidylbenzene?
The canonical SMILES for 1-decoxy-4-(4-methoxyphenyl)iodanuidylbenzene is CCCCCCCCCCOc1ccc([I-]c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-decoxy-4-(4-methoxyphenyl)iodanuidylbenzene?
The InChIKey is MOIRHZQNLSJKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32IO2/c1-3-4-5-6-7-8-9-10-19-26-23-17-13-21(14-18-23)24-20-11-15-22(25-2)16-12-20/h11-18H,3-10,19H2,1-2H3/q-1.
What are the key properties of 1-decoxy-4-(4-methoxyphenyl)iodanuidylbenzene?
1-decoxy-4-(4-methoxyphenyl)iodanuidylbenzene has a molecular weight of 467.41 g/mol, XLogP of 3.34, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decoxy-4-(4-methoxyphenyl)iodanuidylbenzene is sourced from PubChem (CID 58226263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).