1-(dichlorophosphorylmethyl)-2-methylbenzene

C8H9Cl2OP — CID 139980744

IUPAC1-(dichlorophosphorylmethyl)-2-methylbenzene
SMILESCc1ccccc1CP(=O)(Cl)Cl
InChIInChI=1S/C8H9Cl2OP/c1-7-4-2-3-5-8(7)6-12(9,10)11/h2-5H,6H2,1H3
InChIKeyABNJSRXMMCCSMM-UHFFFAOYSA-N
MW223.04 g/mol
LogP4.17
Rot. Bonds2

About 1-(dichlorophosphorylmethyl)-2-methylbenzene

1-(dichlorophosphorylmethyl)-2-methylbenzene (PubChem CID 139980744) has the molecular formula C8H9Cl2OP and a molecular weight of 223.04 g/mol. Its IUPAC name is 1-(dichlorophosphorylmethyl)-2-methylbenzene.

Molecular Properties

Compound Name1-(dichlorophosphorylmethyl)-2-methylbenzene
PubChem CID139980744
Molecular FormulaC8H9Cl2OP
Molecular Weight223.04 g/mol
Exact Mass221.98
IUPAC Name1-(dichlorophosphorylmethyl)-2-methylbenzene
SMILESCc1ccccc1CP(=O)(Cl)Cl
InChIInChI=1S/C8H9Cl2OP/c1-7-4-2-3-5-8(7)6-12(9,10)11/h2-5H,6H2,1H3
InChIKeyABNJSRXMMCCSMM-UHFFFAOYSA-N
XLogP4.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.04
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-[[methyl-[(2-methylphenyl)methyl]phosphoryl]methyl]benzene
CID 145133385
2-(dichlorophosphorylmethyl)-1,3-dimethylbenzene
CID 139980761
1-(2,2-dimethylpropyl)-2-methylbenzene
CID 21464495
1-(chloromethyl)-2-methylbenzene
CID 11093
1-methyl-2-(2,3,3-trichloroprop-2-enyl)benzene
CID 71365855
CID 88723030
CID 88723030
2-(2-methylphenyl)acetic acid
CID 67440217
carbanide;ethane;1-ethyl-2-methylbenzene;yttrium
CID 165046421
3-(2-methylphenyl)propan-1-one;zirconium
CID 174314352
dichloromethane;2-(2-methylphenyl)acetic acid
CID 174962889
(2R)-2-methyl-3-(2-methylphenyl)propanoyl chloride
CID 42328007
benzene;1,2-diethylbenzene;1,2-xylene
CID 174742983

Frequently Asked Questions

What is the IUPAC name of 1-(dichlorophosphorylmethyl)-2-methylbenzene?
The IUPAC name of 1-(dichlorophosphorylmethyl)-2-methylbenzene (CID 139980744) is 1-(dichlorophosphorylmethyl)-2-methylbenzene.
What is the SMILES notation for 1-(dichlorophosphorylmethyl)-2-methylbenzene?
The canonical SMILES for 1-(dichlorophosphorylmethyl)-2-methylbenzene is Cc1ccccc1CP(=O)(Cl)Cl.
What is the InChIKey of 1-(dichlorophosphorylmethyl)-2-methylbenzene?
The InChIKey is ABNJSRXMMCCSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2OP/c1-7-4-2-3-5-8(7)6-12(9,10)11/h2-5H,6H2,1H3.
What are the key properties of 1-(dichlorophosphorylmethyl)-2-methylbenzene?
1-(dichlorophosphorylmethyl)-2-methylbenzene has a molecular weight of 223.04 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dichlorophosphorylmethyl)-2-methylbenzene is sourced from PubChem (CID 139980744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).