benzene-1,3-diol;phosphorous acid;triphenoxy(phenyl)phosphanium

C30H29O8P2+ — CID 174804192

IUPACbenzene-1,3-diol;phosphorous acid;triphenoxy(phenyl)phosphanium
SMILESOP(O)O.Oc1cccc(O)c1.c1ccc(O[P+](Oc2ccccc2)(Oc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20O3P.C6H6O2.H3O3P/c1-5-13-21(14-6-1)25-28(24-19-11-4-12-20-24,26-22-15-7-2-8-16-22)27-23-17-9-3-10-18-23;7-5-2-1-3-6(8)4-5;1-4(2)3/h1-20H;1-4,7-8H;1-3H/q+1;;
InChIKeyJBHOZXUXYQYKHT-UHFFFAOYSA-N
MW579.50 g/mol
LogP6.60
Rot. Bonds7

About benzene-1,3-diol;phosphorous acid;triphenoxy(phenyl)phosphanium

benzene-1,3-diol;phosphorous acid;triphenoxy(phenyl)phosphanium (PubChem CID 174804192) has the molecular formula C30H29O8P2+ and a molecular weight of 579.50 g/mol. Its IUPAC name is benzene-1,3-diol;phosphorous acid;triphenoxy(phenyl)phosphanium.

Molecular Properties

Compound Namebenzene-1,3-diol;phosphorous acid;triphenoxy(phenyl)phosphanium
PubChem CID174804192
Molecular FormulaC30H29O8P2+
Molecular Weight579.50 g/mol
Exact Mass579.13
IUPAC Namebenzene-1,3-diol;phosphorous acid;triphenoxy(phenyl)phosphanium
SMILESOP(O)O.Oc1cccc(O)c1.c1ccc(O[P+](Oc2ccccc2)(Oc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20O3P.C6H6O2.H3O3P/c1-5-13-21(14-6-1)25-28(24-19-11-4-12-20-24,26-22-15-7-2-8-16-22)27-23-17-9-3-10-18-23;7-5-2-1-3-6(8)4-5;1-4(2)3/h1-20H;1-4,7-8H;1-3H/q+1;;
InChIKeyJBHOZXUXYQYKHT-UHFFFAOYSA-N
XLogP6.60
TPSA128.84 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.50
LogP ≤ 56.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

benzene-1,3-diol;phenol
CID 23218590
3-phenylperoxyphenol
CID 87446766
phenol;phosphorous acid
CID 18428802
benzene-1,3-diol;3-propan-2-yloxyphenol
CID 159090607
bis(benzene-1,3-diol);hydrate
CID 174320343
bis(benzene-1,3-diol);methane
CID 70633400
benzene-1,3-diol;bis(rutherfordium)
CID 140661178
benzene-1,3-diol;tris(yttrium)
CID 23386139
5-(3-hydroxyphenyl)peroxybenzene-1,3-diol
CID 139520139
benzene-1,3-diol;diphenyl benzene-1,2-dicarboxylate
CID 174808310
cyclohexyloxy-diphenoxy-phenylphosphanium
CID 174633842
magnesium;benzene-1,3-diol;oxygen(2-)
CID 158172570

Frequently Asked Questions

What is the IUPAC name of benzene-1,3-diol;phosphorous acid;triphenoxy(phenyl)phosphanium?
The IUPAC name of benzene-1,3-diol;phosphorous acid;triphenoxy(phenyl)phosphanium (CID 174804192) is benzene-1,3-diol;phosphorous acid;triphenoxy(phenyl)phosphanium.
What is the SMILES notation for benzene-1,3-diol;phosphorous acid;triphenoxy(phenyl)phosphanium?
The canonical SMILES for benzene-1,3-diol;phosphorous acid;triphenoxy(phenyl)phosphanium is OP(O)O.Oc1cccc(O)c1.c1ccc(O[P+](Oc2ccccc2)(Oc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of benzene-1,3-diol;phosphorous acid;triphenoxy(phenyl)phosphanium?
The InChIKey is JBHOZXUXYQYKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O3P.C6H6O2.H3O3P/c1-5-13-21(14-6-1)25-28(24-19-11-4-12-20-24,26-22-15-7-2-8-16-22)27-23-17-9-3-10-18-23;7-5-2-1-3-6(8)4-5;1-4(2)3/h1-20H;1-4,7-8H;1-3H/q+1;;.
What are the key properties of benzene-1,3-diol;phosphorous acid;triphenoxy(phenyl)phosphanium?
benzene-1,3-diol;phosphorous acid;triphenoxy(phenyl)phosphanium has a molecular weight of 579.50 g/mol, XLogP of 6.60, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3-diol;phosphorous acid;triphenoxy(phenyl)phosphanium is sourced from PubChem (CID 174804192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).