2-dichlorophosphorylethenoxymethylbenzene

C9H9Cl2O2P — CID 71442996

IUPAC2-dichlorophosphorylethenoxymethylbenzene
SMILESO=P(Cl)(Cl)C=COCc1ccccc1
InChIInChI=1S/C9H9Cl2O2P/c10-14(11,12)7-6-13-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyWXGDAHFSMCWETL-UHFFFAOYSA-N
MW251.05 g/mol
LogP4.35
Rot. Bonds4

About 2-dichlorophosphorylethenoxymethylbenzene

2-dichlorophosphorylethenoxymethylbenzene (PubChem CID 71442996) has the molecular formula C9H9Cl2O2P and a molecular weight of 251.05 g/mol. Its IUPAC name is 2-dichlorophosphorylethenoxymethylbenzene.

Molecular Properties

Compound Name2-dichlorophosphorylethenoxymethylbenzene
PubChem CID71442996
Molecular FormulaC9H9Cl2O2P
Molecular Weight251.05 g/mol
Exact Mass249.97
IUPAC Name2-dichlorophosphorylethenoxymethylbenzene
SMILESO=P(Cl)(Cl)C=COCc1ccccc1
InChIInChI=1S/C9H9Cl2O2P/c10-14(11,12)7-6-13-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyWXGDAHFSMCWETL-UHFFFAOYSA-N
XLogP4.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.05
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(E)-3-phenylmethoxyprop-2-enoyl chloride
CID 638415
[(E)-3-fluoroprop-1-enoxy]methylbenzene
CID 143459033
3-phenylmethoxyprop-2-enylsilane
CID 173015897
(E)-4-phenylmethoxybut-3-en-2-one
CID 5368274
ethenoxymethylbenzene
CID 11116115
2-chloro-N-(2-chloroethyl)-N-[chloro(phenylmethoxy)phosphoryl]ethan(15N)amine
CID 10019617
(E)-1,1,1-trifluoro-4-phenylmethoxybut-3-en-2-one
CID 11053414
phenylmethoxymethylbenzene;phosphoric acid
CID 141118417
[(1Z,3E)-5,5-dimethylhexa-1,3-dienoxy]methylbenzene
CID 122393351
[phenylmethoxy(prop-1-enyl)phosphoryl]oxymethylbenzene
CID 72790570
triphenyl(phenylmethoxymethylidene)-λ5-phosphane
CID 14869671
2-(2-diethylphosphorylethenoxy)ethylbenzene
CID 71326502

Frequently Asked Questions

What is the IUPAC name of 2-dichlorophosphorylethenoxymethylbenzene?
The IUPAC name of 2-dichlorophosphorylethenoxymethylbenzene (CID 71442996) is 2-dichlorophosphorylethenoxymethylbenzene.
What is the SMILES notation for 2-dichlorophosphorylethenoxymethylbenzene?
The canonical SMILES for 2-dichlorophosphorylethenoxymethylbenzene is O=P(Cl)(Cl)C=COCc1ccccc1.
What is the InChIKey of 2-dichlorophosphorylethenoxymethylbenzene?
The InChIKey is WXGDAHFSMCWETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2O2P/c10-14(11,12)7-6-13-8-9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 2-dichlorophosphorylethenoxymethylbenzene?
2-dichlorophosphorylethenoxymethylbenzene has a molecular weight of 251.05 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dichlorophosphorylethenoxymethylbenzene is sourced from PubChem (CID 71442996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).