1,1'-biphenyl;phosphorous acid

C12H13O3P — CID 66989787

IUPAC1,1'-biphenyl;phosphorous acid
SMILESOP(O)O.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.H3O3P/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-4(2)3/h1-10H;1-3H
InChIKeyMPCADCULRRWDOX-UHFFFAOYSA-N
MW236.21 g/mol
LogP2.54
Rot. Bonds1

About 1,1'-biphenyl;phosphorous acid

1,1'-biphenyl;phosphorous acid (PubChem CID 66989787) has the molecular formula C12H13O3P and a molecular weight of 236.21 g/mol. Its IUPAC name is 1,1'-biphenyl;phosphorous acid.

Molecular Properties

Compound Name1,1'-biphenyl;phosphorous acid
PubChem CID66989787
Molecular FormulaC12H13O3P
Molecular Weight236.21 g/mol
Exact Mass236.06
IUPAC Name1,1'-biphenyl;phosphorous acid
SMILESOP(O)O.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.H3O3P/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-4(2)3/h1-10H;1-3H
InChIKeyMPCADCULRRWDOX-UHFFFAOYSA-N
XLogP2.54
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;phosphorous acid?
The IUPAC name of 1,1'-biphenyl;phosphorous acid (CID 66989787) is 1,1'-biphenyl;phosphorous acid.
What is the SMILES notation for 1,1'-biphenyl;phosphorous acid?
The canonical SMILES for 1,1'-biphenyl;phosphorous acid is OP(O)O.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;phosphorous acid?
The InChIKey is MPCADCULRRWDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.H3O3P/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-4(2)3/h1-10H;1-3H.
What are the key properties of 1,1'-biphenyl;phosphorous acid?
1,1'-biphenyl;phosphorous acid has a molecular weight of 236.21 g/mol, XLogP of 2.54, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;phosphorous acid is sourced from PubChem (CID 66989787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).