dichloro phenyl phosphate;oxolane

C10H13Cl2O5P — CID 174867172

IUPACdichloro phenyl phosphate;oxolane
SMILESC1CCOC1.O=P(OCl)(OCl)Oc1ccccc1
InChIInChI=1S/C6H5Cl2O4P.C4H8O/c7-11-13(9,12-8)10-6-4-2-1-3-5-6;1-2-4-5-3-1/h1-5H;1-4H2
InChIKeyXZQJRBWSYTXUGX-UHFFFAOYSA-N
MW315.09 g/mol
LogP4.31
Rot. Bonds4

About dichloro phenyl phosphate;oxolane

dichloro phenyl phosphate;oxolane (PubChem CID 174867172) has the molecular formula C10H13Cl2O5P and a molecular weight of 315.09 g/mol. Its IUPAC name is dichloro phenyl phosphate;oxolane.

Molecular Properties

Compound Namedichloro phenyl phosphate;oxolane
PubChem CID174867172
Molecular FormulaC10H13Cl2O5P
Molecular Weight315.09 g/mol
Exact Mass313.99
IUPAC Namedichloro phenyl phosphate;oxolane
SMILESC1CCOC1.O=P(OCl)(OCl)Oc1ccccc1
InChIInChI=1S/C6H5Cl2O4P.C4H8O/c7-11-13(9,12-8)10-6-4-2-1-3-5-6;1-2-4-5-3-1/h1-5H;1-4H2
InChIKeyXZQJRBWSYTXUGX-UHFFFAOYSA-N
XLogP4.31
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.09
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[chloro(phenoxy)phosphoryl]oxybenzene;oxolane
CID 159081019
chloro diphenyl phosphate;hydrate
CID 70610879
oxolane;phenoxybenzene
CID 22620896
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
triphenyl phosphate;hydrate
CID 66881958
anisole;oxolane
CID 21469894
CID 175741196
CID 175741196
diphenyl silyl phosphate
CID 71371486
tris(4-phenoxyphenyl) phosphate
CID 70576220
2-methylpropane;triphenyl phosphate
CID 91193965
[(1R,2S)-2-diphenoxyphosphoryloxycyclohexyl] diphenyl phosphate
CID 98141630
lithium;diphenylphosphinate;oxolane
CID 139065490

Frequently Asked Questions

What is the IUPAC name of dichloro phenyl phosphate;oxolane?
The IUPAC name of dichloro phenyl phosphate;oxolane (CID 174867172) is dichloro phenyl phosphate;oxolane.
What is the SMILES notation for dichloro phenyl phosphate;oxolane?
The canonical SMILES for dichloro phenyl phosphate;oxolane is C1CCOC1.O=P(OCl)(OCl)Oc1ccccc1.
What is the InChIKey of dichloro phenyl phosphate;oxolane?
The InChIKey is XZQJRBWSYTXUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2O4P.C4H8O/c7-11-13(9,12-8)10-6-4-2-1-3-5-6;1-2-4-5-3-1/h1-5H;1-4H2.
What are the key properties of dichloro phenyl phosphate;oxolane?
dichloro phenyl phosphate;oxolane has a molecular weight of 315.09 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro phenyl phosphate;oxolane is sourced from PubChem (CID 174867172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).