1-diphenylphosphoryl-3-ethoxybenzene

C20H19O2P — CID 148706452

IUPAC1-diphenylphosphoryl-3-ethoxybenzene
SMILESCCOc1cccc(P(=O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C20H19O2P/c1-2-22-17-10-9-15-20(16-17)23(21,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-16H,2H2,1H3
InChIKeyNWJDQJKJGHPVHT-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.72
Rot. Bonds5

About 1-diphenylphosphoryl-3-ethoxybenzene

1-diphenylphosphoryl-3-ethoxybenzene (PubChem CID 148706452) has the molecular formula C20H19O2P and a molecular weight of 322.34 g/mol. Its IUPAC name is 1-diphenylphosphoryl-3-ethoxybenzene.

Molecular Properties

Compound Name1-diphenylphosphoryl-3-ethoxybenzene
PubChem CID148706452
Molecular FormulaC20H19O2P
Molecular Weight322.34 g/mol
Exact Mass322.11
IUPAC Name1-diphenylphosphoryl-3-ethoxybenzene
SMILESCCOc1cccc(P(=O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C20H19O2P/c1-2-22-17-10-9-15-20(16-17)23(21,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-16H,2H2,1H3
InChIKeyNWJDQJKJGHPVHT-UHFFFAOYSA-N
XLogP3.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-diphenylphosphoryl-4-ethoxyphenol
CID 175172979
(3-diphenylphosphorylphenyl) cyanate
CID 164761043
ethoxybenzene chloride
CID 21193593
[ethoxy(phenyl)phosphoryl]oxybenzene
CID 12735424
ethoxybenzene;molecular iodine
CID 67763605
3-diphenylphosphoryl-N,N-bis(4-methoxyphenyl)aniline
CID 121406472
1-butoxy-3-[(3-butoxyphenyl)-chlorophosphoryl]benzene
CID 20561902
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
ethoxybenzene;ethoxyethane
CID 67764259
N-(3-ethoxyphenyl)-4-phenylbenzamide
CID 849227
2-(3-ethoxyphenoxy)-N-(4-phenoxyphenyl)acetamide
CID 112977837
N-benzyl-3-(3-ethoxyphenoxy)-N-methylpropan-1-amine
CID 2182253

Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphoryl-3-ethoxybenzene?
The IUPAC name of 1-diphenylphosphoryl-3-ethoxybenzene (CID 148706452) is 1-diphenylphosphoryl-3-ethoxybenzene.
What is the SMILES notation for 1-diphenylphosphoryl-3-ethoxybenzene?
The canonical SMILES for 1-diphenylphosphoryl-3-ethoxybenzene is CCOc1cccc(P(=O)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 1-diphenylphosphoryl-3-ethoxybenzene?
The InChIKey is NWJDQJKJGHPVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19O2P/c1-2-22-17-10-9-15-20(16-17)23(21,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-16H,2H2,1H3.
What are the key properties of 1-diphenylphosphoryl-3-ethoxybenzene?
1-diphenylphosphoryl-3-ethoxybenzene has a molecular weight of 322.34 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphoryl-3-ethoxybenzene is sourced from PubChem (CID 148706452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).