2,3-dibutyl-6-methoxy-1-(4-methoxyphenyl)phosphindole 1-oxide

C24H31O3P — CID 134843929

IUPAC2,3-dibutyl-6-methoxy-1-(4-methoxyphenyl)phosphindole 1-oxide
SMILESCCCCC1=C(CCCC)P(=O)(c2ccc(OC)cc2)c2cc(OC)ccc21
InChIInChI=1S/C24H31O3P/c1-5-7-9-21-22-16-13-19(27-4)17-24(22)28(25,23(21)10-8-6-2)20-14-11-18(26-3)12-15-20/h11-17H,5-10H2,1-4H3
InChIKeyRAVZALBEZMPDDJ-UHFFFAOYSA-N
MW398.48 g/mol
LogP6.12
Rot. Bonds9

About 2,3-dibutyl-6-methoxy-1-(4-methoxyphenyl)phosphindole 1-oxide

2,3-dibutyl-6-methoxy-1-(4-methoxyphenyl)phosphindole 1-oxide (PubChem CID 134843929) has the molecular formula C24H31O3P and a molecular weight of 398.48 g/mol. Its IUPAC name is 2,3-dibutyl-6-methoxy-1-(4-methoxyphenyl)phosphindole 1-oxide.

Molecular Properties

Compound Name2,3-dibutyl-6-methoxy-1-(4-methoxyphenyl)phosphindole 1-oxide
PubChem CID134843929
Molecular FormulaC24H31O3P
Molecular Weight398.48 g/mol
Exact Mass398.20
IUPAC Name2,3-dibutyl-6-methoxy-1-(4-methoxyphenyl)phosphindole 1-oxide
SMILESCCCCC1=C(CCCC)P(=O)(c2ccc(OC)cc2)c2cc(OC)ccc21
InChIInChI=1S/C24H31O3P/c1-5-7-9-21-22-16-13-19(27-4)17-24(22)28(25,23(21)10-8-6-2)20-14-11-18(26-3)12-15-20/h11-17H,5-10H2,1-4H3
InChIKeyRAVZALBEZMPDDJ-UHFFFAOYSA-N
XLogP6.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.48
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dibutyl-6-methoxy-1-(4-methoxyphenyl)phosphindole 1-oxide?
The IUPAC name of 2,3-dibutyl-6-methoxy-1-(4-methoxyphenyl)phosphindole 1-oxide (CID 134843929) is 2,3-dibutyl-6-methoxy-1-(4-methoxyphenyl)phosphindole 1-oxide.
What is the SMILES notation for 2,3-dibutyl-6-methoxy-1-(4-methoxyphenyl)phosphindole 1-oxide?
The canonical SMILES for 2,3-dibutyl-6-methoxy-1-(4-methoxyphenyl)phosphindole 1-oxide is CCCCC1=C(CCCC)P(=O)(c2ccc(OC)cc2)c2cc(OC)ccc21.
What is the InChIKey of 2,3-dibutyl-6-methoxy-1-(4-methoxyphenyl)phosphindole 1-oxide?
The InChIKey is RAVZALBEZMPDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31O3P/c1-5-7-9-21-22-16-13-19(27-4)17-24(22)28(25,23(21)10-8-6-2)20-14-11-18(26-3)12-15-20/h11-17H,5-10H2,1-4H3.
What are the key properties of 2,3-dibutyl-6-methoxy-1-(4-methoxyphenyl)phosphindole 1-oxide?
2,3-dibutyl-6-methoxy-1-(4-methoxyphenyl)phosphindole 1-oxide has a molecular weight of 398.48 g/mol, XLogP of 6.12, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibutyl-6-methoxy-1-(4-methoxyphenyl)phosphindole 1-oxide is sourced from PubChem (CID 134843929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).