1,1'-biphenyl;2,3-dihydro-1,4-benzodioxin-6-ylphosphonic acid

C20H19O5P — CID 159667093

IUPAC1,1'-biphenyl;2,3-dihydro-1,4-benzodioxin-6-ylphosphonic acid
SMILESO=P(O)(O)c1ccc2c(c1)OCCO2.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C8H9O5P/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;9-14(10,11)6-1-2-7-8(5-6)13-4-3-12-7/h1-10H;1-2,5H,3-4H2,(H2,9,10,11)
InChIKeyMTNVLVDCZBZLGL-UHFFFAOYSA-N
MW370.34 g/mol
LogP3.61
Rot. Bonds2

About 1,1'-biphenyl;2,3-dihydro-1,4-benzodioxin-6-ylphosphonic acid

1,1'-biphenyl;2,3-dihydro-1,4-benzodioxin-6-ylphosphonic acid (PubChem CID 159667093) has the molecular formula C20H19O5P and a molecular weight of 370.34 g/mol. Its IUPAC name is 1,1'-biphenyl;2,3-dihydro-1,4-benzodioxin-6-ylphosphonic acid.

Molecular Properties

Compound Name1,1'-biphenyl;2,3-dihydro-1,4-benzodioxin-6-ylphosphonic acid
PubChem CID159667093
Molecular FormulaC20H19O5P
Molecular Weight370.34 g/mol
Exact Mass370.10
IUPAC Name1,1'-biphenyl;2,3-dihydro-1,4-benzodioxin-6-ylphosphonic acid
SMILESO=P(O)(O)c1ccc2c(c1)OCCO2.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C8H9O5P/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;9-14(10,11)6-1-2-7-8(5-6)13-4-3-12-7/h1-10H;1-2,5H,3-4H2,(H2,9,10,11)
InChIKeyMTNVLVDCZBZLGL-UHFFFAOYSA-N
XLogP3.61
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-phenylphenoxy)acetyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 2094448
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 4552324
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenylphenyl)acetamide
CID 832236
5-diphenoxyphosphoryl-1,3-benzodioxole
CID 11428171
carbamic acid;2,3-dihydro-1,4-benzodioxine
CID 67613608
N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(4-phenylphenoxy)acetamide
CID 6266560
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzamide
CID 6909474
N-[(Z)-1-phenylethylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 5419353
CID 46925904
CID 46925904
phenylphosphonic acid;phosphane
CID 157219344
CID 66766975
CID 66766975
N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 4577932

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;2,3-dihydro-1,4-benzodioxin-6-ylphosphonic acid?
The IUPAC name of 1,1'-biphenyl;2,3-dihydro-1,4-benzodioxin-6-ylphosphonic acid (CID 159667093) is 1,1'-biphenyl;2,3-dihydro-1,4-benzodioxin-6-ylphosphonic acid.
What is the SMILES notation for 1,1'-biphenyl;2,3-dihydro-1,4-benzodioxin-6-ylphosphonic acid?
The canonical SMILES for 1,1'-biphenyl;2,3-dihydro-1,4-benzodioxin-6-ylphosphonic acid is O=P(O)(O)c1ccc2c(c1)OCCO2.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;2,3-dihydro-1,4-benzodioxin-6-ylphosphonic acid?
The InChIKey is MTNVLVDCZBZLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C8H9O5P/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;9-14(10,11)6-1-2-7-8(5-6)13-4-3-12-7/h1-10H;1-2,5H,3-4H2,(H2,9,10,11).
What are the key properties of 1,1'-biphenyl;2,3-dihydro-1,4-benzodioxin-6-ylphosphonic acid?
1,1'-biphenyl;2,3-dihydro-1,4-benzodioxin-6-ylphosphonic acid has a molecular weight of 370.34 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;2,3-dihydro-1,4-benzodioxin-6-ylphosphonic acid is sourced from PubChem (CID 159667093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).