dichlorophosphanyl-(3,4-dihydroxyphenyl)methanone

C7H5Cl2O3P — CID 88842379

IUPACdichlorophosphanyl-(3,4-dihydroxyphenyl)methanone
SMILESO=C(c1ccc(O)c(O)c1)P(Cl)Cl
InChIInChI=1S/C7H5Cl2O3P/c8-13(9)7(12)4-1-2-5(10)6(11)3-4/h1-3,10-11H
InChIKeyUBGRBFGYKFWCJE-UHFFFAOYSA-N
MW238.99 g/mol
LogP3.03
Rot. Bonds2

About dichlorophosphanyl-(3,4-dihydroxyphenyl)methanone

dichlorophosphanyl-(3,4-dihydroxyphenyl)methanone (PubChem CID 88842379) has the molecular formula C7H5Cl2O3P and a molecular weight of 238.99 g/mol. Its IUPAC name is dichlorophosphanyl-(3,4-dihydroxyphenyl)methanone.

Molecular Properties

Compound Namedichlorophosphanyl-(3,4-dihydroxyphenyl)methanone
PubChem CID88842379
Molecular FormulaC7H5Cl2O3P
Molecular Weight238.99 g/mol
Exact Mass237.94
IUPAC Namedichlorophosphanyl-(3,4-dihydroxyphenyl)methanone
SMILESO=C(c1ccc(O)c(O)c1)P(Cl)Cl
InChIInChI=1S/C7H5Cl2O3P/c8-13(9)7(12)4-1-2-5(10)6(11)3-4/h1-3,10-11H
InChIKeyUBGRBFGYKFWCJE-UHFFFAOYSA-N
XLogP3.03
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.99
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dichlorophosphanyl-(3,4-dihydroxyphenyl)methanone?
The IUPAC name of dichlorophosphanyl-(3,4-dihydroxyphenyl)methanone (CID 88842379) is dichlorophosphanyl-(3,4-dihydroxyphenyl)methanone.
What is the SMILES notation for dichlorophosphanyl-(3,4-dihydroxyphenyl)methanone?
The canonical SMILES for dichlorophosphanyl-(3,4-dihydroxyphenyl)methanone is O=C(c1ccc(O)c(O)c1)P(Cl)Cl.
What is the InChIKey of dichlorophosphanyl-(3,4-dihydroxyphenyl)methanone?
The InChIKey is UBGRBFGYKFWCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2O3P/c8-13(9)7(12)4-1-2-5(10)6(11)3-4/h1-3,10-11H.
What are the key properties of dichlorophosphanyl-(3,4-dihydroxyphenyl)methanone?
dichlorophosphanyl-(3,4-dihydroxyphenyl)methanone has a molecular weight of 238.99 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorophosphanyl-(3,4-dihydroxyphenyl)methanone is sourced from PubChem (CID 88842379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).