1-butyl-2-[(2-butylphenoxy)-(2-butylphenyl)phosphoryl]oxybenzene

C30H39O3P — CID 141046812

IUPAC1-butyl-2-[(2-butylphenoxy)-(2-butylphenyl)phosphoryl]oxybenzene
SMILESCCCCc1ccccc1OP(=O)(Oc1ccccc1CCCC)c1ccccc1CCCC
InChIInChI=1S/C30H39O3P/c1-4-7-16-25-19-10-13-22-28(25)32-34(31,30-24-15-12-21-27(30)18-9-6-3)33-29-23-14-11-20-26(29)17-8-5-2/h10-15,19-24H,4-9,16-18H2,1-3H3
InChIKeyGWTWZAYHGWAKCP-UHFFFAOYSA-N
MW478.61 g/mol
LogP8.69
Rot. Bonds14

About 1-butyl-2-[(2-butylphenoxy)-(2-butylphenyl)phosphoryl]oxybenzene

1-butyl-2-[(2-butylphenoxy)-(2-butylphenyl)phosphoryl]oxybenzene (PubChem CID 141046812) has the molecular formula C30H39O3P and a molecular weight of 478.61 g/mol. Its IUPAC name is 1-butyl-2-[(2-butylphenoxy)-(2-butylphenyl)phosphoryl]oxybenzene.

Molecular Properties

Compound Name1-butyl-2-[(2-butylphenoxy)-(2-butylphenyl)phosphoryl]oxybenzene
PubChem CID141046812
Molecular FormulaC30H39O3P
Molecular Weight478.61 g/mol
Exact Mass478.26
IUPAC Name1-butyl-2-[(2-butylphenoxy)-(2-butylphenyl)phosphoryl]oxybenzene
SMILESCCCCc1ccccc1OP(=O)(Oc1ccccc1CCCC)c1ccccc1CCCC
InChIInChI=1S/C30H39O3P/c1-4-7-16-25-19-10-13-22-28(25)32-34(31,30-24-15-12-21-27(30)18-9-6-3)33-29-23-14-11-20-26(29)17-8-5-2/h10-15,19-24H,4-9,16-18H2,1-3H3
InChIKeyGWTWZAYHGWAKCP-UHFFFAOYSA-N
XLogP8.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.61
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-bis(2-propylphenoxy)phosphoryl-2,3-dibutylbenzene
CID 87672742
bis(bis(2-butylphenyl) phosphate);nickel(2+)
CID 88827321
(2-nonylphenyl) bis(2-octylphenyl) phosphate
CID 71349653
(2-nonadecylphenyl) dihydrogen phosphate
CID 122612109
(2-nonylphenyl) dihydrogen phosphate
CID 14048761
bis(2-hexylphenyl) hydrogen phosphate
CID 14671068
(2-butylphenyl) phenyl phosphate
CID 18924623
dialuminum;tris((2-nonylphenyl) phosphate)
CID 173352283
lithium (2-octylphenyl) phosphate
CID 21408120
bis(2-heptylphenyl) phosphate;zinc
CID 140565321
sodium;hydride;(2-octylphenyl) dihydrogen phosphate
CID 173327470
ethoxyethane;(2-octylphenyl) dihydrogen phosphate
CID 66830836

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-[(2-butylphenoxy)-(2-butylphenyl)phosphoryl]oxybenzene?
The IUPAC name of 1-butyl-2-[(2-butylphenoxy)-(2-butylphenyl)phosphoryl]oxybenzene (CID 141046812) is 1-butyl-2-[(2-butylphenoxy)-(2-butylphenyl)phosphoryl]oxybenzene.
What is the SMILES notation for 1-butyl-2-[(2-butylphenoxy)-(2-butylphenyl)phosphoryl]oxybenzene?
The canonical SMILES for 1-butyl-2-[(2-butylphenoxy)-(2-butylphenyl)phosphoryl]oxybenzene is CCCCc1ccccc1OP(=O)(Oc1ccccc1CCCC)c1ccccc1CCCC.
What is the InChIKey of 1-butyl-2-[(2-butylphenoxy)-(2-butylphenyl)phosphoryl]oxybenzene?
The InChIKey is GWTWZAYHGWAKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39O3P/c1-4-7-16-25-19-10-13-22-28(25)32-34(31,30-24-15-12-21-27(30)18-9-6-3)33-29-23-14-11-20-26(29)17-8-5-2/h10-15,19-24H,4-9,16-18H2,1-3H3.
What are the key properties of 1-butyl-2-[(2-butylphenoxy)-(2-butylphenyl)phosphoryl]oxybenzene?
1-butyl-2-[(2-butylphenoxy)-(2-butylphenyl)phosphoryl]oxybenzene has a molecular weight of 478.61 g/mol, XLogP of 8.69, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-[(2-butylphenoxy)-(2-butylphenyl)phosphoryl]oxybenzene is sourced from PubChem (CID 141046812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).