1-benzyl-2-dichlorophosphorylbenzene

C13H11Cl2OP — CID 151769367

IUPAC1-benzyl-2-dichlorophosphorylbenzene
SMILESO=P(Cl)(Cl)c1ccccc1Cc1ccccc1
InChIInChI=1S/C13H11Cl2OP/c14-17(15,16)13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyRSGLUBAELBSGIB-UHFFFAOYSA-N
MW285.11 g/mol
LogP4.57
Rot. Bonds3

About 1-benzyl-2-dichlorophosphorylbenzene

1-benzyl-2-dichlorophosphorylbenzene (PubChem CID 151769367) has the molecular formula C13H11Cl2OP and a molecular weight of 285.11 g/mol. Its IUPAC name is 1-benzyl-2-dichlorophosphorylbenzene.

Molecular Properties

Compound Name1-benzyl-2-dichlorophosphorylbenzene
PubChem CID151769367
Molecular FormulaC13H11Cl2OP
Molecular Weight285.11 g/mol
Exact Mass283.99
IUPAC Name1-benzyl-2-dichlorophosphorylbenzene
SMILESO=P(Cl)(Cl)c1ccccc1Cc1ccccc1
InChIInChI=1S/C13H11Cl2OP/c14-17(15,16)13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyRSGLUBAELBSGIB-UHFFFAOYSA-N
XLogP4.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.11
LogP ≤ 54.57
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

benzylbenzene;phosphoric acid
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(2-benzylphenyl)-oxosulfanium
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1-benzyl-2-[decyl(phenyl)phosphoryl]benzene
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phenyl(113C)methylbenzene
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1-benzyl-2-methylbenzene;hydrochloride
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(2-benzylphenyl)azanide
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1-benzyl-2-(2-ethylphenyl)benzene
CID 20510866
3-benzyl-2-chloropyridine
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2-dichlorophosphorylethylbenzene
CID 15169214
2-benzylphenol;ethane
CID 91068983
1,4,5,8-tetrabenzylanthracene-9,10-dione
CID 175027629
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CID 174706000

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-dichlorophosphorylbenzene?
The IUPAC name of 1-benzyl-2-dichlorophosphorylbenzene (CID 151769367) is 1-benzyl-2-dichlorophosphorylbenzene.
What is the SMILES notation for 1-benzyl-2-dichlorophosphorylbenzene?
The canonical SMILES for 1-benzyl-2-dichlorophosphorylbenzene is O=P(Cl)(Cl)c1ccccc1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-dichlorophosphorylbenzene?
The InChIKey is RSGLUBAELBSGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2OP/c14-17(15,16)13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of 1-benzyl-2-dichlorophosphorylbenzene?
1-benzyl-2-dichlorophosphorylbenzene has a molecular weight of 285.11 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-dichlorophosphorylbenzene is sourced from PubChem (CID 151769367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).