azido-bis(phosphanyl)phosphane;2-methylbenzene-1,4-diol

C7H12N3O2P3 — CID 91509159

IUPACazido-bis(phosphanyl)phosphane;2-methylbenzene-1,4-diol
SMILESCc1cc(O)ccc1O.[N-]=[N+]=NP(P)P
InChIInChI=1S/C7H8O2.H4N3P3/c1-5-4-6(8)2-3-7(5)9;1-2-3-6(4)5/h2-4,8-9H,1H3;4-5H2
InChIKeyJTBZRVLUAOYMIB-UHFFFAOYSA-N
MW263.11 g/mol
LogP3.68
Rot. Bonds1

About azido-bis(phosphanyl)phosphane;2-methylbenzene-1,4-diol

azido-bis(phosphanyl)phosphane;2-methylbenzene-1,4-diol (PubChem CID 91509159) has the molecular formula C7H12N3O2P3 and a molecular weight of 263.11 g/mol. Its IUPAC name is azido-bis(phosphanyl)phosphane;2-methylbenzene-1,4-diol.

Molecular Properties

Compound Nameazido-bis(phosphanyl)phosphane;2-methylbenzene-1,4-diol
PubChem CID91509159
Molecular FormulaC7H12N3O2P3
Molecular Weight263.11 g/mol
Exact Mass263.01
IUPAC Nameazido-bis(phosphanyl)phosphane;2-methylbenzene-1,4-diol
SMILESCc1cc(O)ccc1O.[N-]=[N+]=NP(P)P
InChIInChI=1S/C7H8O2.H4N3P3/c1-5-4-6(8)2-3-7(5)9;1-2-3-6(4)5/h2-4,8-9H,1H3;4-5H2
InChIKeyJTBZRVLUAOYMIB-UHFFFAOYSA-N
XLogP3.68
TPSA89.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.11
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Tert-Butylhydroquinone
CID 16043
Methylhydroquinone
CID 7253
2,6-Dimethylhydroquinone
CID 69560
Gentisyl Alcohol
CID 188287
2,3-Dimethylhydroquinone
CID 69100
2-((2E)-3,7-Dimethyl-2,6-octadien-1-yl)-1,4-benzenediol
CID 5281857
2-Isopropylhydroquinone
CID 75370
10'(Z),13'(E),15'(E)-Heptadecatrienylhydroquinone
CID 11724959
2-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]benzene-1,4-diol
CID 5353837
2,5-Dimethylhydroquinone
CID 69211
Siccayne
CID 189063
2,5-Diallylbenzene-1,4-diol
CID 350335

Frequently Asked Questions

What is the IUPAC name of azido-bis(phosphanyl)phosphane;2-methylbenzene-1,4-diol?
The IUPAC name of azido-bis(phosphanyl)phosphane;2-methylbenzene-1,4-diol (CID 91509159) is azido-bis(phosphanyl)phosphane;2-methylbenzene-1,4-diol.
What is the SMILES notation for azido-bis(phosphanyl)phosphane;2-methylbenzene-1,4-diol?
The canonical SMILES for azido-bis(phosphanyl)phosphane;2-methylbenzene-1,4-diol is Cc1cc(O)ccc1O.[N-]=[N+]=NP(P)P.
What is the InChIKey of azido-bis(phosphanyl)phosphane;2-methylbenzene-1,4-diol?
The InChIKey is JTBZRVLUAOYMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2.H4N3P3/c1-5-4-6(8)2-3-7(5)9;1-2-3-6(4)5/h2-4,8-9H,1H3;4-5H2.
What are the key properties of azido-bis(phosphanyl)phosphane;2-methylbenzene-1,4-diol?
azido-bis(phosphanyl)phosphane;2-methylbenzene-1,4-diol has a molecular weight of 263.11 g/mol, XLogP of 3.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azido-bis(phosphanyl)phosphane;2-methylbenzene-1,4-diol is sourced from PubChem (CID 91509159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).