benzene-1,4-diol;diphenylphosphane

C18H17O2P — CID 70153043

IUPACbenzene-1,4-diol;diphenylphosphane
SMILESOc1ccc(O)cc1.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C12H11P.C6H6O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;7-5-1-2-6(8)4-3-5/h1-10,13H;1-4,7-8H
InChIKeyQYJWPNZOSRQCJC-UHFFFAOYSA-N
MW296.31 g/mol
LogP3.41
Rot. Bonds2

About benzene-1,4-diol;diphenylphosphane

benzene-1,4-diol;diphenylphosphane (PubChem CID 70153043) has the molecular formula C18H17O2P and a molecular weight of 296.31 g/mol. Its IUPAC name is benzene-1,4-diol;diphenylphosphane.

Molecular Properties

Compound Namebenzene-1,4-diol;diphenylphosphane
PubChem CID70153043
Molecular FormulaC18H17O2P
Molecular Weight296.31 g/mol
Exact Mass296.10
IUPAC Namebenzene-1,4-diol;diphenylphosphane
SMILESOc1ccc(O)cc1.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C12H11P.C6H6O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;7-5-1-2-6(8)4-3-5/h1-10,13H;1-4,7-8H
InChIKeyQYJWPNZOSRQCJC-UHFFFAOYSA-N
XLogP3.41
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

diphenylphosphane;zinc
CID 160591319
bis(diphenylphosphane);zinc
CID 160732089
bis(diphenylphosphane);nickel
CID 172733587
diphenylphosphane;phosphorous acid
CID 158763055
bicyclo[2.2.2]octa-1,3,5,7-tetraene;diphenylphosphane
CID 18326967
bis(diphenylphosphane);ethanol
CID 175242741
diphenylphosphane;iron(3+);methanone
CID 174711189
diphenylphosphane;trichlororuthenium
CID 162065304
dichloromethane;diphenylphosphane
CID 158269242
benzene-1,4-diol;bis(1,1'-biphenyl)
CID 161250566
dichloropalladium;diphenylphosphane;iron
CID 175532989
(Z)-but-2-enedioic acid;bis(diphenylphosphane)
CID 172683592

Frequently Asked Questions

What is the IUPAC name of benzene-1,4-diol;diphenylphosphane?
The IUPAC name of benzene-1,4-diol;diphenylphosphane (CID 70153043) is benzene-1,4-diol;diphenylphosphane.
What is the SMILES notation for benzene-1,4-diol;diphenylphosphane?
The canonical SMILES for benzene-1,4-diol;diphenylphosphane is Oc1ccc(O)cc1.c1ccc(Pc2ccccc2)cc1.
What is the InChIKey of benzene-1,4-diol;diphenylphosphane?
The InChIKey is QYJWPNZOSRQCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11P.C6H6O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;7-5-1-2-6(8)4-3-5/h1-10,13H;1-4,7-8H.
What are the key properties of benzene-1,4-diol;diphenylphosphane?
benzene-1,4-diol;diphenylphosphane has a molecular weight of 296.31 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-diol;diphenylphosphane is sourced from PubChem (CID 70153043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).