1,2-bis(dipropylphosphoryloxy)benzene

C18H32O4P2 — CID 54254204

IUPAC1,2-bis(dipropylphosphoryloxy)benzene
SMILESCCCP(=O)(CCC)Oc1ccccc1OP(=O)(CCC)CCC
InChIInChI=1S/C18H32O4P2/c1-5-13-23(19,14-6-2)21-17-11-9-10-12-18(17)22-24(20,15-7-3)16-8-4/h9-12H,5-8,13-16H2,1-4H3
InChIKeyQYWFVCGALDKHLF-UHFFFAOYSA-N
MW374.40 g/mol
LogP6.64
Rot. Bonds12

About 1,2-bis(dipropylphosphoryloxy)benzene

1,2-bis(dipropylphosphoryloxy)benzene (PubChem CID 54254204) has the molecular formula C18H32O4P2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 1,2-bis(dipropylphosphoryloxy)benzene.

Molecular Properties

Compound Name1,2-bis(dipropylphosphoryloxy)benzene
PubChem CID54254204
Molecular FormulaC18H32O4P2
Molecular Weight374.40 g/mol
Exact Mass374.18
IUPAC Name1,2-bis(dipropylphosphoryloxy)benzene
SMILESCCCP(=O)(CCC)Oc1ccccc1OP(=O)(CCC)CCC
InChIInChI=1S/C18H32O4P2/c1-5-13-23(19,14-6-2)21-17-11-9-10-12-18(17)22-24(20,15-7-3)16-8-4/h9-12H,5-8,13-16H2,1-4H3
InChIKeyQYWFVCGALDKHLF-UHFFFAOYSA-N
XLogP6.64
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.40
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[butyl(propyl)phosphoryl]oxybenzene
CID 23081695
1-[butyl(ethyl)phosphoryl]oxy-2-methylbenzene
CID 23081741
1-diethylphosphoryloxy-2-fluorobenzene
CID 66797040
(2-tetradecoxyphenyl) dihydrogen phosphate
CID 23178967
1-[ethyl(propyl)phosphoryl]oxy-4-(2-phenylpropan-2-yl)benzene
CID 71382280
(2-nonadecylphenyl) dihydrogen phosphate
CID 122612109
(2-nonylphenyl) dihydrogen phosphate
CID 14048761
methyl-(2-octadecoxyphenoxy)phosphinic acid
CID 139804510
2-[(2-amino-3-chlorophenoxy)-propylphosphoryl]oxy-6-chloroaniline
CID 90955867
1-ethyl-2-[ethyl-(2-ethylphenoxy)phosphoryl]oxybenzene
CID 87155659
1-dibutylphosphoryl-2-methoxybenzene
CID 15651948
2-[butyl-(2,6-dimethoxyphenoxy)phosphoryl]oxy-1,3-dimethoxybenzene
CID 91739119

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(dipropylphosphoryloxy)benzene?
The IUPAC name of 1,2-bis(dipropylphosphoryloxy)benzene (CID 54254204) is 1,2-bis(dipropylphosphoryloxy)benzene.
What is the SMILES notation for 1,2-bis(dipropylphosphoryloxy)benzene?
The canonical SMILES for 1,2-bis(dipropylphosphoryloxy)benzene is CCCP(=O)(CCC)Oc1ccccc1OP(=O)(CCC)CCC.
What is the InChIKey of 1,2-bis(dipropylphosphoryloxy)benzene?
The InChIKey is QYWFVCGALDKHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O4P2/c1-5-13-23(19,14-6-2)21-17-11-9-10-12-18(17)22-24(20,15-7-3)16-8-4/h9-12H,5-8,13-16H2,1-4H3.
What are the key properties of 1,2-bis(dipropylphosphoryloxy)benzene?
1,2-bis(dipropylphosphoryloxy)benzene has a molecular weight of 374.40 g/mol, XLogP of 6.64, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(dipropylphosphoryloxy)benzene is sourced from PubChem (CID 54254204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).