[4-(chloromethyl)phenyl]methylphosphane

C8H10ClP — CID 134463930

IUPAC[4-(chloromethyl)phenyl]methylphosphane
SMILESPCc1ccc(CCl)cc1
InChIInChI=1S/C8H10ClP/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5-6,10H2
InChIKeyVDLTYBNGDQOMQJ-UHFFFAOYSA-N
MW172.59 g/mol
LogP2.80
Rot. Bonds2

About [4-(chloromethyl)phenyl]methylphosphane

[4-(chloromethyl)phenyl]methylphosphane (PubChem CID 134463930) has the molecular formula C8H10ClP and a molecular weight of 172.59 g/mol. Its IUPAC name is [4-(chloromethyl)phenyl]methylphosphane.

Molecular Properties

Compound Name[4-(chloromethyl)phenyl]methylphosphane
PubChem CID134463930
Molecular FormulaC8H10ClP
Molecular Weight172.59 g/mol
Exact Mass172.02
IUPAC Name[4-(chloromethyl)phenyl]methylphosphane
SMILESPCc1ccc(CCl)cc1
InChIInChI=1S/C8H10ClP/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5-6,10H2
InChIKeyVDLTYBNGDQOMQJ-UHFFFAOYSA-N
XLogP2.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.59
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 [4-(chloromethyl)phenyl]methylphosphane?
The IUPAC name of [4-(chloromethyl)phenyl]methylphosphane (CID 134463930) is [4-(chloromethyl)phenyl]methylphosphane.
What is the SMILES notation for [4-(chloromethyl)phenyl]methylphosphane?
The canonical SMILES for [4-(chloromethyl)phenyl]methylphosphane is PCc1ccc(CCl)cc1.
What is the InChIKey of [4-(chloromethyl)phenyl]methylphosphane?
The InChIKey is VDLTYBNGDQOMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClP/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5-6,10H2.
What are the key properties of [4-(chloromethyl)phenyl]methylphosphane?
[4-(chloromethyl)phenyl]methylphosphane has a molecular weight of 172.59 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(chloromethyl)phenyl]methylphosphane is sourced from PubChem (CID 134463930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).