2-diphenylphosphoryl-1,4-dimethoxybenzene

C20H19O3P — CID 15129135

IUPAC2-diphenylphosphoryl-1,4-dimethoxybenzene
SMILESCOc1ccc(OC)c(P(=O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C20H19O3P/c1-22-16-13-14-19(23-2)20(15-16)24(21,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15H,1-2H3
InChIKeyFMALRWFJSNSCMR-UHFFFAOYSA-N
MW338.34 g/mol
LogP3.34
Rot. Bonds5

About 2-diphenylphosphoryl-1,4-dimethoxybenzene

2-diphenylphosphoryl-1,4-dimethoxybenzene (PubChem CID 15129135) has the molecular formula C20H19O3P and a molecular weight of 338.34 g/mol. Its IUPAC name is 2-diphenylphosphoryl-1,4-dimethoxybenzene.

Molecular Properties

Compound Name2-diphenylphosphoryl-1,4-dimethoxybenzene
PubChem CID15129135
Molecular FormulaC20H19O3P
Molecular Weight338.34 g/mol
Exact Mass338.11
IUPAC Name2-diphenylphosphoryl-1,4-dimethoxybenzene
SMILESCOc1ccc(OC)c(P(=O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C20H19O3P/c1-22-16-13-14-19(23-2)20(15-16)24(21,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15H,1-2H3
InChIKeyFMALRWFJSNSCMR-UHFFFAOYSA-N
XLogP3.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-diphenylphosphoryl-4-methoxyphenyl)acetamide
CID 3921981
1-diphenylphosphoryl-2-iodo-3-methoxybenzene
CID 14906787
4-methoxy-2-methyl-1-[methyl(phenyl)phosphoryl]benzene
CID 14790520
2-diphenylphosphoryl-4-ethoxyphenol
CID 175172979
3-diphenylphosphoryl-N,N-bis(4-methoxyphenyl)aniline
CID 121406472
1-dichlorophosphoryl-2,4-dimethoxybenzene
CID 20548444
1,1'-biphenyl;1,4-dimethoxy-2-methylbenzene
CID 159369138
2-(2,5-dimethoxyphenyl)-7-methoxycyclohepta-2,4,6-trien-1-one
CID 617857
4-[4-[4-amino-2-(trifluoromethyl)phenoxy]-2-diphenylphosphorylphenoxy]-3-methylaniline
CID 20750532
3-diphenylphosphoryl-6-methoxy-1-[2-(2-methoxyethoxy)ethyl]quinolin-2-one
CID 163951737
1,4-dimethoxy-2-phenoxybenzene;molecular nitrogen
CID 70565966
(2-diphenylphosphoryl-4,5-dimethylphenyl)phosphane
CID 175349711

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphoryl-1,4-dimethoxybenzene?
The IUPAC name of 2-diphenylphosphoryl-1,4-dimethoxybenzene (CID 15129135) is 2-diphenylphosphoryl-1,4-dimethoxybenzene.
What is the SMILES notation for 2-diphenylphosphoryl-1,4-dimethoxybenzene?
The canonical SMILES for 2-diphenylphosphoryl-1,4-dimethoxybenzene is COc1ccc(OC)c(P(=O)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 2-diphenylphosphoryl-1,4-dimethoxybenzene?
The InChIKey is FMALRWFJSNSCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19O3P/c1-22-16-13-14-19(23-2)20(15-16)24(21,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15H,1-2H3.
What are the key properties of 2-diphenylphosphoryl-1,4-dimethoxybenzene?
2-diphenylphosphoryl-1,4-dimethoxybenzene has a molecular weight of 338.34 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphoryl-1,4-dimethoxybenzene is sourced from PubChem (CID 15129135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).