(3,4-dihydroxyphenyl)-phosphanylmethanone;trihydrochloride

C7H10Cl3O3P — CID 70442762

IUPAC(3,4-dihydroxyphenyl)-phosphanylmethanone;trihydrochloride
SMILESCl.Cl.Cl.O=C(P)c1ccc(O)c(O)c1
InChIInChI=1S/C7H7O3P.3ClH/c8-5-2-1-4(7(10)11)3-6(5)9;;;/h1-3,8-9H,11H2;3*1H
InChIKeyKXXZOGDBIMMLBY-UHFFFAOYSA-N
MW279.49 g/mol
LogP2.38
Rot. Bonds1

About (3,4-dihydroxyphenyl)-phosphanylmethanone;trihydrochloride

(3,4-dihydroxyphenyl)-phosphanylmethanone;trihydrochloride (PubChem CID 70442762) has the molecular formula C7H10Cl3O3P and a molecular weight of 279.49 g/mol. Its IUPAC name is (3,4-dihydroxyphenyl)-phosphanylmethanone;trihydrochloride.

Molecular Properties

Compound Name(3,4-dihydroxyphenyl)-phosphanylmethanone;trihydrochloride
PubChem CID70442762
Molecular FormulaC7H10Cl3O3P
Molecular Weight279.49 g/mol
Exact Mass277.94
IUPAC Name(3,4-dihydroxyphenyl)-phosphanylmethanone;trihydrochloride
SMILESCl.Cl.Cl.O=C(P)c1ccc(O)c(O)c1
InChIInChI=1S/C7H7O3P.3ClH/c8-5-2-1-4(7(10)11)3-6(5)9;;;/h1-3,8-9H,11H2;3*1H
InChIKeyKXXZOGDBIMMLBY-UHFFFAOYSA-N
XLogP2.38
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.49
LogP ≤ 52.38
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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Related Compounds

benzene;3,4-dihydroxybenzoic acid
CID 175073097
bis(3,4-dihydroxybenzoic acid);zirconium
CID 23558402
N-(3,4-dihydroxybenzoyl)-3,4-dihydroxybenzamide
CID 52913696
(3,4-dihydroxyphenyl)-(2,3,6-trihydroxyphenyl)methanone
CID 129260082
1-(3,4-dihydroxyphenyl)-2-sulfanylethanone
CID 168916291
dichlorophosphanyl-(3,4-dihydroxyphenyl)methanone
CID 88842379
[2-(3,4-dihydroxyphenyl)-2-oxoethyl]azanium
CID 168916285
amino 3,4-dihydroxybenzoate
CID 91429810
[3-[3-(3,4-dihydroxybenzoyl)-4-hydroxybenzoyl]-4-hydroxyphenyl]-(3,4-dihydroxyphenyl)methanone
CID 172840396
1-(3,4-dihydroxyphenyl)-2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-methylamino]ethanone;hydrochloride
CID 175674657
1-(3,4-dihydroxyphenyl)-2-hydroxy-2-methylpropan-1-one
CID 3051378
4-[2,2-dichloro-1-(4-hydroxyphenyl)ethenyl]benzene-1,2-diol
CID 20539885

Frequently Asked Questions

What is the IUPAC name of (3,4-dihydroxyphenyl)-phosphanylmethanone;trihydrochloride?
The IUPAC name of (3,4-dihydroxyphenyl)-phosphanylmethanone;trihydrochloride (CID 70442762) is (3,4-dihydroxyphenyl)-phosphanylmethanone;trihydrochloride.
What is the SMILES notation for (3,4-dihydroxyphenyl)-phosphanylmethanone;trihydrochloride?
The canonical SMILES for (3,4-dihydroxyphenyl)-phosphanylmethanone;trihydrochloride is Cl.Cl.Cl.O=C(P)c1ccc(O)c(O)c1.
What is the InChIKey of (3,4-dihydroxyphenyl)-phosphanylmethanone;trihydrochloride?
The InChIKey is KXXZOGDBIMMLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7O3P.3ClH/c8-5-2-1-4(7(10)11)3-6(5)9;;;/h1-3,8-9H,11H2;3*1H.
What are the key properties of (3,4-dihydroxyphenyl)-phosphanylmethanone;trihydrochloride?
(3,4-dihydroxyphenyl)-phosphanylmethanone;trihydrochloride has a molecular weight of 279.49 g/mol, XLogP of 2.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dihydroxyphenyl)-phosphanylmethanone;trihydrochloride is sourced from PubChem (CID 70442762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).