1-dichlorophosphorylpropan-2-ylbenzene

C9H11Cl2OP — CID 139980768

IUPAC1-dichlorophosphorylpropan-2-ylbenzene
SMILESCC(CP(=O)(Cl)Cl)c1ccccc1
InChIInChI=1S/C9H11Cl2OP/c1-8(7-13(10,11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKeyMICMISWSNUDFGF-UHFFFAOYSA-N
MW237.07 g/mol
LogP4.46
Rot. Bonds3

About 1-dichlorophosphorylpropan-2-ylbenzene

1-dichlorophosphorylpropan-2-ylbenzene (PubChem CID 139980768) has the molecular formula C9H11Cl2OP and a molecular weight of 237.07 g/mol. Its IUPAC name is 1-dichlorophosphorylpropan-2-ylbenzene.

Molecular Properties

Compound Name1-dichlorophosphorylpropan-2-ylbenzene
PubChem CID139980768
Molecular FormulaC9H11Cl2OP
Molecular Weight237.07 g/mol
Exact Mass235.99
IUPAC Name1-dichlorophosphorylpropan-2-ylbenzene
SMILESCC(CP(=O)(Cl)Cl)c1ccccc1
InChIInChI=1S/C9H11Cl2OP/c1-8(7-13(10,11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKeyMICMISWSNUDFGF-UHFFFAOYSA-N
XLogP4.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.07
LogP ≤ 54.46
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

tris(2-phenylpropyl)-selanylidene-λ5-phosphane
CID 132991777
4-chlorobutan-2-ylbenzene
CID 570466
2-phenylpropane-1-sulfonic acid
CID 18989058
(2S)-2-phenylpropane-1-sulfonyl chloride
CID 98112212
(3R)-3-phenylbutanal
CID 10877278
N-dimethoxyphosphoryl-2-phenylpropan-1-amine
CID 118201062
2-phenylpropyl 2-chloro-2-oxoacetate
CID 57296608
[(1R)-1-[amino(chloro)phosphoryl]oxyethyl]benzene
CID 154300726
(1Z)-N-hydroxy-3-phenylbutanimidoyl chloride
CID 106892063
1,4-bis(2-phenylpropyl)benzene
CID 19376086
[(2R)-1-phenylpropan-2-yl]benzene
CID 11138041
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159

Frequently Asked Questions

What is the IUPAC name of 1-dichlorophosphorylpropan-2-ylbenzene?
The IUPAC name of 1-dichlorophosphorylpropan-2-ylbenzene (CID 139980768) is 1-dichlorophosphorylpropan-2-ylbenzene.
What is the SMILES notation for 1-dichlorophosphorylpropan-2-ylbenzene?
The canonical SMILES for 1-dichlorophosphorylpropan-2-ylbenzene is CC(CP(=O)(Cl)Cl)c1ccccc1.
What is the InChIKey of 1-dichlorophosphorylpropan-2-ylbenzene?
The InChIKey is MICMISWSNUDFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2OP/c1-8(7-13(10,11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3.
What are the key properties of 1-dichlorophosphorylpropan-2-ylbenzene?
1-dichlorophosphorylpropan-2-ylbenzene has a molecular weight of 237.07 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dichlorophosphorylpropan-2-ylbenzene is sourced from PubChem (CID 139980768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).