3,4-diphenyl-1,4-dihydro-2,3-benzoxaphosphinine

C20H17OP — CID 154700754

IUPAC3,4-diphenyl-1,4-dihydro-2,3-benzoxaphosphinine
SMILESc1ccc(C2c3ccccc3COP2c2ccccc2)cc1
InChIInChI=1S/C20H17OP/c1-3-9-16(10-4-1)20-19-14-8-7-11-17(19)15-21-22(20)18-12-5-2-6-13-18/h1-14,20H,15H2
InChIKeyKWZXZMWWCOWONW-UHFFFAOYSA-N
MW304.33 g/mol
LogP5.03
Rot. Bonds2

About 3,4-diphenyl-1,4-dihydro-2,3-benzoxaphosphinine

3,4-diphenyl-1,4-dihydro-2,3-benzoxaphosphinine (PubChem CID 154700754) has the molecular formula C20H17OP and a molecular weight of 304.33 g/mol. Its IUPAC name is 3,4-diphenyl-1,4-dihydro-2,3-benzoxaphosphinine.

Molecular Properties

Compound Name3,4-diphenyl-1,4-dihydro-2,3-benzoxaphosphinine
PubChem CID154700754
Molecular FormulaC20H17OP
Molecular Weight304.33 g/mol
Exact Mass304.10
IUPAC Name3,4-diphenyl-1,4-dihydro-2,3-benzoxaphosphinine
SMILESc1ccc(C2c3ccccc3COP2c2ccccc2)cc1
InChIInChI=1S/C20H17OP/c1-3-9-16(10-4-1)20-19-14-8-7-11-17(19)15-21-22(20)18-12-5-2-6-13-18/h1-14,20H,15H2
InChIKeyKWZXZMWWCOWONW-UHFFFAOYSA-N
XLogP5.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.33
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1,3-dihydro-2-benzofuran-1-yl(triphenyl)phosphanium
CID 20564704
3,4-dimethyl-3,4-dihydro-1H-isochromene
CID 12794873
4-(1,3-dihydro-2-benzofuran-1-yl)aniline
CID 70600489
1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran
CID 14230259
1-(iodomethyl)-1,3-dihydro-2-benzofuran
CID 138756847
N-methyl-1,3-dihydro-2-benzofuran-1-amine
CID 141076317
(1R,2S)-2-phenyl-2,3-dihydro-1H-inden-1-ol
CID 129386741
1-(2-fluorophenyl)-1,3-dihydro-2-benzofuran
CID 151716486
trimethyl-[[(1R,2R)-2-methyl-1-phenyl-1,3-dihydroisoindol-2-ium-2-yl]methyl]silane
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CID 11716921
CID 11716921

Frequently Asked Questions

What is the IUPAC name of 3,4-diphenyl-1,4-dihydro-2,3-benzoxaphosphinine?
The IUPAC name of 3,4-diphenyl-1,4-dihydro-2,3-benzoxaphosphinine (CID 154700754) is 3,4-diphenyl-1,4-dihydro-2,3-benzoxaphosphinine.
What is the SMILES notation for 3,4-diphenyl-1,4-dihydro-2,3-benzoxaphosphinine?
The canonical SMILES for 3,4-diphenyl-1,4-dihydro-2,3-benzoxaphosphinine is c1ccc(C2c3ccccc3COP2c2ccccc2)cc1.
What is the InChIKey of 3,4-diphenyl-1,4-dihydro-2,3-benzoxaphosphinine?
The InChIKey is KWZXZMWWCOWONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17OP/c1-3-9-16(10-4-1)20-19-14-8-7-11-17(19)15-21-22(20)18-12-5-2-6-13-18/h1-14,20H,15H2.
What are the key properties of 3,4-diphenyl-1,4-dihydro-2,3-benzoxaphosphinine?
3,4-diphenyl-1,4-dihydro-2,3-benzoxaphosphinine has a molecular weight of 304.33 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diphenyl-1,4-dihydro-2,3-benzoxaphosphinine is sourced from PubChem (CID 154700754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).