1-(chloromethyl)-4-(2-phosphorosoethenyl)benzene

C9H8ClOP — CID 175040142

IUPAC1-(chloromethyl)-4-(2-phosphorosoethenyl)benzene
SMILESO=PC=Cc1ccc(CCl)cc1
InChIInChI=1S/C9H8ClOP/c10-7-9-3-1-8(2-4-9)5-6-12-11/h1-6H,7H2
InChIKeyRHGHLRTVWDSMSG-UHFFFAOYSA-N
MW198.59 g/mol
LogP3.69
Rot. Bonds3

About 1-(chloromethyl)-4-(2-phosphorosoethenyl)benzene

1-(chloromethyl)-4-(2-phosphorosoethenyl)benzene (PubChem CID 175040142) has the molecular formula C9H8ClOP and a molecular weight of 198.59 g/mol. Its IUPAC name is 1-(chloromethyl)-4-(2-phosphorosoethenyl)benzene.

Molecular Properties

Compound Name1-(chloromethyl)-4-(2-phosphorosoethenyl)benzene
PubChem CID175040142
Molecular FormulaC9H8ClOP
Molecular Weight198.59 g/mol
Exact Mass198.00
IUPAC Name1-(chloromethyl)-4-(2-phosphorosoethenyl)benzene
SMILESO=PC=Cc1ccc(CCl)cc1
InChIInChI=1S/C9H8ClOP/c10-7-9-3-1-8(2-4-9)5-6-12-11/h1-6H,7H2
InChIKeyRHGHLRTVWDSMSG-UHFFFAOYSA-N
XLogP3.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.59
LogP ≤ 53.69
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)-4-(2-phosphorosoethenyl)benzene?
The IUPAC name of 1-(chloromethyl)-4-(2-phosphorosoethenyl)benzene (CID 175040142) is 1-(chloromethyl)-4-(2-phosphorosoethenyl)benzene.
What is the SMILES notation for 1-(chloromethyl)-4-(2-phosphorosoethenyl)benzene?
The canonical SMILES for 1-(chloromethyl)-4-(2-phosphorosoethenyl)benzene is O=PC=Cc1ccc(CCl)cc1.
What is the InChIKey of 1-(chloromethyl)-4-(2-phosphorosoethenyl)benzene?
The InChIKey is RHGHLRTVWDSMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClOP/c10-7-9-3-1-8(2-4-9)5-6-12-11/h1-6H,7H2.
What are the key properties of 1-(chloromethyl)-4-(2-phosphorosoethenyl)benzene?
1-(chloromethyl)-4-(2-phosphorosoethenyl)benzene has a molecular weight of 198.59 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-4-(2-phosphorosoethenyl)benzene is sourced from PubChem (CID 175040142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).