bis(3-chloro-4-methylphenoxy)-oxophosphanium

C14H12Cl2O3P+ — CID 154133035

IUPACbis(3-chloro-4-methylphenoxy)-oxophosphanium
SMILESCc1ccc(O[P+](=O)Oc2ccc(C)c(Cl)c2)cc1Cl
InChIInChI=1S/C14H12Cl2O3P/c1-9-3-5-11(7-13(9)15)18-20(17)19-12-6-4-10(2)14(16)8-12/h3-8H,1-2H3/q+1
InChIKeyHMEWJLIYWLLZFH-UHFFFAOYSA-N
MW330.13 g/mol
LogP5.73
Rot. Bonds4

About bis(3-chloro-4-methylphenoxy)-oxophosphanium

bis(3-chloro-4-methylphenoxy)-oxophosphanium (PubChem CID 154133035) has the molecular formula C14H12Cl2O3P+ and a molecular weight of 330.13 g/mol. Its IUPAC name is bis(3-chloro-4-methylphenoxy)-oxophosphanium.

Molecular Properties

Compound Namebis(3-chloro-4-methylphenoxy)-oxophosphanium
PubChem CID154133035
Molecular FormulaC14H12Cl2O3P+
Molecular Weight330.13 g/mol
Exact Mass328.99
IUPAC Namebis(3-chloro-4-methylphenoxy)-oxophosphanium
SMILESCc1ccc(O[P+](=O)Oc2ccc(C)c(Cl)c2)cc1Cl
InChIInChI=1S/C14H12Cl2O3P/c1-9-3-5-11(7-13(9)15)18-20(17)19-12-6-4-10(2)14(16)8-12/h3-8H,1-2H3/q+1
InChIKeyHMEWJLIYWLLZFH-UHFFFAOYSA-N
XLogP5.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.13
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-methoxy-1-methylbenzene
CID 6951757
bis(3-amino-4-chlorophenoxy)-oxophosphanium
CID 57214752
2-chloro-1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 118299415
(3-chloro-4-methylphenyl) carbamate
CID 18431892
(3-chloro-4-methylphenyl)-hydroxy-oxophosphanium
CID 6330252
(3-chloro-4-methylphenoxy)methylhydrazine
CID 91621764
[4-(3-chloro-4-methylphenoxy)phenyl]-dimethylborane
CID 58430003
(2S)-2-[(3-chloro-4-methylphenoxy)methyl]oxirane
CID 40802006
(2-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone
CID 55196391
(3-chloro-4-methylphenyl) (E)-3-phenylprop-2-enoate
CID 23010742
bis(3-amino-4-bromophenoxy)-oxophosphanium
CID 57222825
lithium (3-chloro-4-methylphenyl)azanide
CID 101026876

Frequently Asked Questions

What is the IUPAC name of bis(3-chloro-4-methylphenoxy)-oxophosphanium?
The IUPAC name of bis(3-chloro-4-methylphenoxy)-oxophosphanium (CID 154133035) is bis(3-chloro-4-methylphenoxy)-oxophosphanium.
What is the SMILES notation for bis(3-chloro-4-methylphenoxy)-oxophosphanium?
The canonical SMILES for bis(3-chloro-4-methylphenoxy)-oxophosphanium is Cc1ccc(O[P+](=O)Oc2ccc(C)c(Cl)c2)cc1Cl.
What is the InChIKey of bis(3-chloro-4-methylphenoxy)-oxophosphanium?
The InChIKey is HMEWJLIYWLLZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2O3P/c1-9-3-5-11(7-13(9)15)18-20(17)19-12-6-4-10(2)14(16)8-12/h3-8H,1-2H3/q+1.
What are the key properties of bis(3-chloro-4-methylphenoxy)-oxophosphanium?
bis(3-chloro-4-methylphenoxy)-oxophosphanium has a molecular weight of 330.13 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-chloro-4-methylphenoxy)-oxophosphanium is sourced from PubChem (CID 154133035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).