chloro-(3-methoxyphenyl)-oxophosphanium

C7H7ClO2P+ — CID 151429318

IUPACchloro-(3-methoxyphenyl)-oxophosphanium
SMILESCOc1cccc([P+](=O)Cl)c1
InChIInChI=1S/C7H7ClO2P/c1-10-6-3-2-4-7(5-6)11(8)9/h2-5H,1H3/q+1
InChIKeyOISUYCXLIZMCBA-UHFFFAOYSA-N
MW189.56 g/mol
LogP2.30
Rot. Bonds2

About chloro-(3-methoxyphenyl)-oxophosphanium

chloro-(3-methoxyphenyl)-oxophosphanium (PubChem CID 151429318) has the molecular formula C7H7ClO2P+ and a molecular weight of 189.56 g/mol. Its IUPAC name is chloro-(3-methoxyphenyl)-oxophosphanium.

Molecular Properties

Compound Namechloro-(3-methoxyphenyl)-oxophosphanium
PubChem CID151429318
Molecular FormulaC7H7ClO2P+
Molecular Weight189.56 g/mol
Exact Mass188.99
IUPAC Namechloro-(3-methoxyphenyl)-oxophosphanium
SMILESCOc1cccc([P+](=O)Cl)c1
InChIInChI=1S/C7H7ClO2P/c1-10-6-3-2-4-7(5-6)11(8)9/h2-5H,1H3/q+1
InChIKeyOISUYCXLIZMCBA-UHFFFAOYSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.56
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-(3-methoxyphenyl)-oxophosphanium?
The IUPAC name of chloro-(3-methoxyphenyl)-oxophosphanium (CID 151429318) is chloro-(3-methoxyphenyl)-oxophosphanium.
What is the SMILES notation for chloro-(3-methoxyphenyl)-oxophosphanium?
The canonical SMILES for chloro-(3-methoxyphenyl)-oxophosphanium is COc1cccc([P+](=O)Cl)c1.
What is the InChIKey of chloro-(3-methoxyphenyl)-oxophosphanium?
The InChIKey is OISUYCXLIZMCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO2P/c1-10-6-3-2-4-7(5-6)11(8)9/h2-5H,1H3/q+1.
What are the key properties of chloro-(3-methoxyphenyl)-oxophosphanium?
chloro-(3-methoxyphenyl)-oxophosphanium has a molecular weight of 189.56 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(3-methoxyphenyl)-oxophosphanium is sourced from PubChem (CID 151429318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).