1-chloro-2-[(2-chlorophenoxy)-phenylphosphoryl]oxybenzene

C18H13Cl2O3P — CID 154177622

IUPAC1-chloro-2-[(2-chlorophenoxy)-phenylphosphoryl]oxybenzene
SMILESO=P(Oc1ccccc1Cl)(Oc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C18H13Cl2O3P/c19-15-10-4-6-12-17(15)22-24(21,14-8-2-1-3-9-14)23-18-13-7-5-11-16(18)20/h1-13H
InChIKeyJWTZYCBVJLGWMX-UHFFFAOYSA-N
MW379.18 g/mol
LogP5.97
Rot. Bonds5

About 1-chloro-2-[(2-chlorophenoxy)-phenylphosphoryl]oxybenzene

1-chloro-2-[(2-chlorophenoxy)-phenylphosphoryl]oxybenzene (PubChem CID 154177622) has the molecular formula C18H13Cl2O3P and a molecular weight of 379.18 g/mol. Its IUPAC name is 1-chloro-2-[(2-chlorophenoxy)-phenylphosphoryl]oxybenzene.

Molecular Properties

Compound Name1-chloro-2-[(2-chlorophenoxy)-phenylphosphoryl]oxybenzene
PubChem CID154177622
Molecular FormulaC18H13Cl2O3P
Molecular Weight379.18 g/mol
Exact Mass378.00
IUPAC Name1-chloro-2-[(2-chlorophenoxy)-phenylphosphoryl]oxybenzene
SMILESO=P(Oc1ccccc1Cl)(Oc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C18H13Cl2O3P/c19-15-10-4-6-12-17(15)22-24(21,14-8-2-1-3-9-14)23-18-13-7-5-11-16(18)20/h1-13H
InChIKeyJWTZYCBVJLGWMX-UHFFFAOYSA-N
XLogP5.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.18
LogP ≤ 55.97
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

chloro bis(2-chlorophenyl) phosphate
CID 68561656
(2-chlorophenyl) dihydrogen phosphate dichloride
CID 20976937
1-[[2,3-di(propan-2-yl)phenoxy]-phenylphosphoryl]oxy-2,3-di(propan-2-yl)benzene
CID 118862449
2-[(2,5-dimethylphenoxy)-phenylphosphoryl]oxy-1,4-dimethylbenzene
CID 169085413
(2-chlorophenyl) nitro hydrogen phosphate
CID 139740859
2-bis(2-chlorophenoxy)phosphorylacetonitrile
CID 154139597
bis((2-chlorophenoxy)-[hydroxy(phosphonato)methyl]phosphinate);tris(tin(2+))
CID 173412876
O-[aminooxy(phenyl)phosphoryl]hydroxylamine
CID 70403150
(2-chlorophenoxy) dihydrogen phosphate
CID 175260184
1-[(2-chlorophenoxy)-(1,2,4-triazol-1-yl)phosphoryl]-1,2,4-triazole
CID 10946851
5-bromo-1,3-dichloro-2-[methoxy(phenyl)phosphoryl]oxybenzene
CID 165351110
1-[butoxy(ethyl)phosphoryl]oxy-2-chlorobenzene
CID 25065173

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(2-chlorophenoxy)-phenylphosphoryl]oxybenzene?
The IUPAC name of 1-chloro-2-[(2-chlorophenoxy)-phenylphosphoryl]oxybenzene (CID 154177622) is 1-chloro-2-[(2-chlorophenoxy)-phenylphosphoryl]oxybenzene.
What is the SMILES notation for 1-chloro-2-[(2-chlorophenoxy)-phenylphosphoryl]oxybenzene?
The canonical SMILES for 1-chloro-2-[(2-chlorophenoxy)-phenylphosphoryl]oxybenzene is O=P(Oc1ccccc1Cl)(Oc1ccccc1Cl)c1ccccc1.
What is the InChIKey of 1-chloro-2-[(2-chlorophenoxy)-phenylphosphoryl]oxybenzene?
The InChIKey is JWTZYCBVJLGWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2O3P/c19-15-10-4-6-12-17(15)22-24(21,14-8-2-1-3-9-14)23-18-13-7-5-11-16(18)20/h1-13H.
What are the key properties of 1-chloro-2-[(2-chlorophenoxy)-phenylphosphoryl]oxybenzene?
1-chloro-2-[(2-chlorophenoxy)-phenylphosphoryl]oxybenzene has a molecular weight of 379.18 g/mol, XLogP of 5.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[(2-chlorophenoxy)-phenylphosphoryl]oxybenzene is sourced from PubChem (CID 154177622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).