1-chloro-2-[(E)-3-dimethylphosphorylprop-1-enyl]benzene

C11H14ClOP — CID 59068903

IUPAC1-chloro-2-[(E)-3-dimethylphosphorylprop-1-enyl]benzene
SMILESCP(C)(=O)C/C=C/c1ccccc1Cl
InChIInChI=1S/C11H14ClOP/c1-14(2,13)9-5-7-10-6-3-4-8-11(10)12/h3-8H,9H2,1-2H3/b7-5+
InChIKeyRQVQXPVCJMJLRM-FNORWQNLSA-N
MW228.66 g/mol
LogP3.98
Rot. Bonds3

About 1-chloro-2-[(E)-3-dimethylphosphorylprop-1-enyl]benzene

1-chloro-2-[(E)-3-dimethylphosphorylprop-1-enyl]benzene (PubChem CID 59068903) has the molecular formula C11H14ClOP and a molecular weight of 228.66 g/mol. Its IUPAC name is 1-chloro-2-[(E)-3-dimethylphosphorylprop-1-enyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[(E)-3-dimethylphosphorylprop-1-enyl]benzene
PubChem CID59068903
Molecular FormulaC11H14ClOP
Molecular Weight228.66 g/mol
Exact Mass228.05
IUPAC Name1-chloro-2-[(E)-3-dimethylphosphorylprop-1-enyl]benzene
SMILESCP(C)(=O)C/C=C/c1ccccc1Cl
InChIInChI=1S/C11H14ClOP/c1-14(2,13)9-5-7-10-6-3-4-8-11(10)12/h3-8H,9H2,1-2H3/b7-5+
InChIKeyRQVQXPVCJMJLRM-FNORWQNLSA-N
XLogP3.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.66
LogP ≤ 53.98
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

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1-chloro-2-[(E)-prop-1-enyl]benzene;ethane
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CID 23273586
2-(2-chlorophenyl)ethenamine
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CID 102035541
CID 102035541
2-[(E)-3-(2-chlorophenyl)prop-2-enyl]-1,3-dihydroisoindole;hydrochloride
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3-(3-chloro-2-methylphenyl)-N-methylprop-2-en-1-amine
CID 169473159
(E)-3-(2-chlorophenyl)prop-2-enoic acid
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CID 173462269

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(E)-3-dimethylphosphorylprop-1-enyl]benzene?
The IUPAC name of 1-chloro-2-[(E)-3-dimethylphosphorylprop-1-enyl]benzene (CID 59068903) is 1-chloro-2-[(E)-3-dimethylphosphorylprop-1-enyl]benzene.
What is the SMILES notation for 1-chloro-2-[(E)-3-dimethylphosphorylprop-1-enyl]benzene?
The canonical SMILES for 1-chloro-2-[(E)-3-dimethylphosphorylprop-1-enyl]benzene is CP(C)(=O)C/C=C/c1ccccc1Cl.
What is the InChIKey of 1-chloro-2-[(E)-3-dimethylphosphorylprop-1-enyl]benzene?
The InChIKey is RQVQXPVCJMJLRM-FNORWQNLSA-N. The full InChI is InChI=1S/C11H14ClOP/c1-14(2,13)9-5-7-10-6-3-4-8-11(10)12/h3-8H,9H2,1-2H3/b7-5+.
What are the key properties of 1-chloro-2-[(E)-3-dimethylphosphorylprop-1-enyl]benzene?
1-chloro-2-[(E)-3-dimethylphosphorylprop-1-enyl]benzene has a molecular weight of 228.66 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[(E)-3-dimethylphosphorylprop-1-enyl]benzene is sourced from PubChem (CID 59068903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).