[chloro(methyl)phosphoryl]benzene

C7H8ClOP — CID 21983

IUPAC[chloro(methyl)phosphoryl]benzene
SMILESCP(=O)(Cl)c1ccccc1
InChIInChI=1S/C7H8ClOP/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyBTMQENOUJJKBGT-UHFFFAOYSA-N
MW174.57 g/mol
LogP2.46
Rot. Bonds1

About [chloro(methyl)phosphoryl]benzene

[chloro(methyl)phosphoryl]benzene (PubChem CID 21983) has the molecular formula C7H8ClOP and a molecular weight of 174.57 g/mol. Its IUPAC name is [chloro(methyl)phosphoryl]benzene.

Molecular Properties

Compound Name[chloro(methyl)phosphoryl]benzene
PubChem CID21983
Molecular FormulaC7H8ClOP
Molecular Weight174.57 g/mol
Exact Mass174.00
IUPAC Name[chloro(methyl)phosphoryl]benzene
SMILESCP(=O)(Cl)c1ccccc1
InChIInChI=1S/C7H8ClOP/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyBTMQENOUJJKBGT-UHFFFAOYSA-N
XLogP2.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.57
LogP ≤ 52.46
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

Phenylphosphonic Acid
CID 15295
Phenylthionophosphonic dichloride
CID 19016
Phenyl phosphorus dichloride
CID 12573
Phenylphosphonic dichloride
CID 69990
Chlorodiphenylphosphine
CID 66180
1H-Phosphole, 2,3-dihydro-4-methyl-1-phenyl-, 1-oxide
CID 69722
1H-Phosphole, 2,5-dihydro-3-methyl-1-phenyl-, 1-oxide
CID 82053
(Methoxymethyl)diphenylphosphine oxide
CID 78203
Methyldiphenylphosphine oxide
CID 75041
Phenylphosphinic acid
CID 72903
Phenyltriethylphosphonium iodide
CID 102363
Sodium phenylphosphinate
CID 6364990

Frequently Asked Questions

What is the IUPAC name of [chloro(methyl)phosphoryl]benzene?
The IUPAC name of [chloro(methyl)phosphoryl]benzene (CID 21983) is [chloro(methyl)phosphoryl]benzene.
What is the SMILES notation for [chloro(methyl)phosphoryl]benzene?
The canonical SMILES for [chloro(methyl)phosphoryl]benzene is CP(=O)(Cl)c1ccccc1.
What is the InChIKey of [chloro(methyl)phosphoryl]benzene?
The InChIKey is BTMQENOUJJKBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClOP/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of [chloro(methyl)phosphoryl]benzene?
[chloro(methyl)phosphoryl]benzene has a molecular weight of 174.57 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(methyl)phosphoryl]benzene is sourced from PubChem (CID 21983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).