1-(chloromethyl)-2-diphenylphosphorylbenzene

C19H16ClOP — CID 152708651

IUPAC1-(chloromethyl)-2-diphenylphosphorylbenzene
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccccc1CCl
InChIInChI=1S/C19H16ClOP/c20-15-16-9-7-8-14-19(16)22(21,17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-14H,15H2
InChIKeyZTCZSVGYRJHMFC-UHFFFAOYSA-N
MW326.76 g/mol
LogP4.06
Rot. Bonds4

About 1-(chloromethyl)-2-diphenylphosphorylbenzene

1-(chloromethyl)-2-diphenylphosphorylbenzene (PubChem CID 152708651) has the molecular formula C19H16ClOP and a molecular weight of 326.76 g/mol. Its IUPAC name is 1-(chloromethyl)-2-diphenylphosphorylbenzene.

Molecular Properties

Compound Name1-(chloromethyl)-2-diphenylphosphorylbenzene
PubChem CID152708651
Molecular FormulaC19H16ClOP
Molecular Weight326.76 g/mol
Exact Mass326.06
IUPAC Name1-(chloromethyl)-2-diphenylphosphorylbenzene
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccccc1CCl
InChIInChI=1S/C19H16ClOP/c20-15-16-9-7-8-14-19(16)22(21,17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-14H,15H2
InChIKeyZTCZSVGYRJHMFC-UHFFFAOYSA-N
XLogP4.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.76
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-2-diphenylphosphorylbenzene?
The IUPAC name of 1-(chloromethyl)-2-diphenylphosphorylbenzene (CID 152708651) is 1-(chloromethyl)-2-diphenylphosphorylbenzene.
What is the SMILES notation for 1-(chloromethyl)-2-diphenylphosphorylbenzene?
The canonical SMILES for 1-(chloromethyl)-2-diphenylphosphorylbenzene is O=P(c1ccccc1)(c1ccccc1)c1ccccc1CCl.
What is the InChIKey of 1-(chloromethyl)-2-diphenylphosphorylbenzene?
The InChIKey is ZTCZSVGYRJHMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClOP/c20-15-16-9-7-8-14-19(16)22(21,17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-14H,15H2.
What are the key properties of 1-(chloromethyl)-2-diphenylphosphorylbenzene?
1-(chloromethyl)-2-diphenylphosphorylbenzene has a molecular weight of 326.76 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-2-diphenylphosphorylbenzene is sourced from PubChem (CID 152708651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).