1,5-dichloro-2-dichlorophosphoryloxy-3-methylbenzene

C7H5Cl4O2P — CID 154221105

IUPAC1,5-dichloro-2-dichlorophosphoryloxy-3-methylbenzene
SMILESCc1cc(Cl)cc(Cl)c1OP(=O)(Cl)Cl
InChIInChI=1S/C7H5Cl4O2P/c1-4-2-5(8)3-6(9)7(4)13-14(10,11)12/h2-3H,1H3
InChIKeyTXRAPBZIJHSDJS-UHFFFAOYSA-N
MW293.90 g/mol
LogP5.27
Rot. Bonds2

About 1,5-dichloro-2-dichlorophosphoryloxy-3-methylbenzene

1,5-dichloro-2-dichlorophosphoryloxy-3-methylbenzene (PubChem CID 154221105) has the molecular formula C7H5Cl4O2P and a molecular weight of 293.90 g/mol. Its IUPAC name is 1,5-dichloro-2-dichlorophosphoryloxy-3-methylbenzene.

Molecular Properties

Compound Name1,5-dichloro-2-dichlorophosphoryloxy-3-methylbenzene
PubChem CID154221105
Molecular FormulaC7H5Cl4O2P
Molecular Weight293.90 g/mol
Exact Mass291.88
IUPAC Name1,5-dichloro-2-dichlorophosphoryloxy-3-methylbenzene
SMILESCc1cc(Cl)cc(Cl)c1OP(=O)(Cl)Cl
InChIInChI=1S/C7H5Cl4O2P/c1-4-2-5(8)3-6(9)7(4)13-14(10,11)12/h2-3H,1H3
InChIKeyTXRAPBZIJHSDJS-UHFFFAOYSA-N
XLogP5.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.90
LogP ≤ 55.27
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

1,5-dichloro-2-(fluoromethoxy)-3-methylbenzene
CID 130766678
1,5-dichloro-2-dichlorophosphorylsulfanyl-3-methylbenzene
CID 57224993
5-chloro-2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-1,3-dimethylbenzene
CID 123242846
2-(2,4-dichloro-6-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 1121099
2-(2,4-dichloro-6-methylphenoxy)-N-methylethanamine;hydrochloride
CID 44828457
(2,4-dichloro-6-formylphenyl) diethyl phosphate
CID 71394264
2-(2,4-dichloro-6-methylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide
CID 2892762
dihydroxy-sulfanylidene-(2,4,6-trichlorophenoxy)-λ5-phosphane
CID 87564961
[2,4,6-tris(2,4-dichlorophenyl)-3,5-diphosphonooxyphenyl] dihydrogen phosphate
CID 11765859
2-(2,4-dichloro-6-methylphenoxy)-N-pyridin-2-ylacetamide
CID 2892737
N-(2-amino-4-chlorophenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide
CID 91689111
1,5-dichloro-2-[3-(4-methoxyphenoxy)propoxy]-3-methylbenzene
CID 4302361

Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-2-dichlorophosphoryloxy-3-methylbenzene?
The IUPAC name of 1,5-dichloro-2-dichlorophosphoryloxy-3-methylbenzene (CID 154221105) is 1,5-dichloro-2-dichlorophosphoryloxy-3-methylbenzene.
What is the SMILES notation for 1,5-dichloro-2-dichlorophosphoryloxy-3-methylbenzene?
The canonical SMILES for 1,5-dichloro-2-dichlorophosphoryloxy-3-methylbenzene is Cc1cc(Cl)cc(Cl)c1OP(=O)(Cl)Cl.
What is the InChIKey of 1,5-dichloro-2-dichlorophosphoryloxy-3-methylbenzene?
The InChIKey is TXRAPBZIJHSDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl4O2P/c1-4-2-5(8)3-6(9)7(4)13-14(10,11)12/h2-3H,1H3.
What are the key properties of 1,5-dichloro-2-dichlorophosphoryloxy-3-methylbenzene?
1,5-dichloro-2-dichlorophosphoryloxy-3-methylbenzene has a molecular weight of 293.90 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-2-dichlorophosphoryloxy-3-methylbenzene is sourced from PubChem (CID 154221105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).