[butyl(propyl)phosphoryl]oxybenzene

C13H21O2P — CID 23081695

IUPAC[butyl(propyl)phosphoryl]oxybenzene
SMILESCCCCP(=O)(CCC)Oc1ccccc1
InChIInChI=1S/C13H21O2P/c1-3-5-12-16(14,11-4-2)15-13-9-7-6-8-10-13/h6-10H,3-5,11-12H2,1-2H3
InChIKeyIFTFBSHRVVDGAI-UHFFFAOYSA-N
MW240.28 g/mol
LogP4.55
Rot. Bonds7

About [butyl(propyl)phosphoryl]oxybenzene

[butyl(propyl)phosphoryl]oxybenzene (PubChem CID 23081695) has the molecular formula C13H21O2P and a molecular weight of 240.28 g/mol. Its IUPAC name is [butyl(propyl)phosphoryl]oxybenzene.

Molecular Properties

Compound Name[butyl(propyl)phosphoryl]oxybenzene
PubChem CID23081695
Molecular FormulaC13H21O2P
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name[butyl(propyl)phosphoryl]oxybenzene
SMILESCCCCP(=O)(CCC)Oc1ccccc1
InChIInChI=1S/C13H21O2P/c1-3-5-12-16(14,11-4-2)15-13-9-7-6-8-10-13/h6-10H,3-5,11-12H2,1-2H3
InChIKeyIFTFBSHRVVDGAI-UHFFFAOYSA-N
XLogP4.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[butyl(methoxy)phosphoryl]oxybenzene
CID 125474824
4-[4-hydroxybutyl(phenoxy)phosphoryl]butan-1-ol
CID 69095386
1,2-bis(dipropylphosphoryloxy)benzene
CID 54254204
1-[ethyl(propyl)phosphoryl]oxy-4-(2-phenylpropan-2-yl)benzene
CID 71382280
phenoxy(undecyl)phosphinic acid
CID 87383274
1-chloro-2-dipentylphosphoryloxybenzene;dipentylphosphoryloxybenzene;1-dipentylphosphoryloxy-4-nitrobenzene
CID 160910813
hexyl diphenyl phosphate
CID 13389453
heptyl pentyl phenyl phosphate
CID 21454681
[[(E)-hex-1-enyl]-phenoxyphosphoryl]oxybenzene
CID 134934628
3-[methoxy(pentyl)phosphoryl]propylbenzene
CID 11173209
1-[butyl(ethyl)phosphoryl]oxy-2-methylbenzene
CID 23081741
[2-diphenoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene
CID 14550387

Frequently Asked Questions

What is the IUPAC name of [butyl(propyl)phosphoryl]oxybenzene?
The IUPAC name of [butyl(propyl)phosphoryl]oxybenzene (CID 23081695) is [butyl(propyl)phosphoryl]oxybenzene.
What is the SMILES notation for [butyl(propyl)phosphoryl]oxybenzene?
The canonical SMILES for [butyl(propyl)phosphoryl]oxybenzene is CCCCP(=O)(CCC)Oc1ccccc1.
What is the InChIKey of [butyl(propyl)phosphoryl]oxybenzene?
The InChIKey is IFTFBSHRVVDGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21O2P/c1-3-5-12-16(14,11-4-2)15-13-9-7-6-8-10-13/h6-10H,3-5,11-12H2,1-2H3.
What are the key properties of [butyl(propyl)phosphoryl]oxybenzene?
[butyl(propyl)phosphoryl]oxybenzene has a molecular weight of 240.28 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [butyl(propyl)phosphoryl]oxybenzene is sourced from PubChem (CID 23081695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).