1,1'-biphenyl;2-phosphanylbenzene-1,4-diol

C18H17O2P — CID 174494333

IUPAC1,1'-biphenyl;2-phosphanylbenzene-1,4-diol
SMILESOc1ccc(O)c(P)c1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C6H7O2P/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;7-4-1-2-5(8)6(9)3-4/h1-10H;1-3,7-8H,9H2
InChIKeyHAFTUBWAJPNORR-UHFFFAOYSA-N
MW296.31 g/mol
LogP3.95
Rot. Bonds1

About 1,1'-biphenyl;2-phosphanylbenzene-1,4-diol

1,1'-biphenyl;2-phosphanylbenzene-1,4-diol (PubChem CID 174494333) has the molecular formula C18H17O2P and a molecular weight of 296.31 g/mol. Its IUPAC name is 1,1'-biphenyl;2-phosphanylbenzene-1,4-diol.

Molecular Properties

Compound Name1,1'-biphenyl;2-phosphanylbenzene-1,4-diol
PubChem CID174494333
Molecular FormulaC18H17O2P
Molecular Weight296.31 g/mol
Exact Mass296.10
IUPAC Name1,1'-biphenyl;2-phosphanylbenzene-1,4-diol
SMILESOc1ccc(O)c(P)c1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C6H7O2P/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;7-4-1-2-5(8)6(9)3-4/h1-10H;1-3,7-8H,9H2
InChIKeyHAFTUBWAJPNORR-UHFFFAOYSA-N
XLogP3.95
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 53.95
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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Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;2-phosphanylbenzene-1,4-diol?
The IUPAC name of 1,1'-biphenyl;2-phosphanylbenzene-1,4-diol (CID 174494333) is 1,1'-biphenyl;2-phosphanylbenzene-1,4-diol.
What is the SMILES notation for 1,1'-biphenyl;2-phosphanylbenzene-1,4-diol?
The canonical SMILES for 1,1'-biphenyl;2-phosphanylbenzene-1,4-diol is Oc1ccc(O)c(P)c1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;2-phosphanylbenzene-1,4-diol?
The InChIKey is HAFTUBWAJPNORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C6H7O2P/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;7-4-1-2-5(8)6(9)3-4/h1-10H;1-3,7-8H,9H2.
What are the key properties of 1,1'-biphenyl;2-phosphanylbenzene-1,4-diol?
1,1'-biphenyl;2-phosphanylbenzene-1,4-diol has a molecular weight of 296.31 g/mol, XLogP of 3.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;2-phosphanylbenzene-1,4-diol is sourced from PubChem (CID 174494333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).