1-[ethoxy-(4-methylphenyl)phosphoryl]-4-methylbenzene

C16H19O2P — CID 15616106

IUPAC1-[ethoxy-(4-methylphenyl)phosphoryl]-4-methylbenzene
SMILESCCOP(=O)(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C16H19O2P/c1-4-18-19(17,15-9-5-13(2)6-10-15)16-11-7-14(3)8-12-16/h5-12H,4H2,1-3H3
InChIKeyVENQTTWHAVYHFX-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.57
Rot. Bonds4

About 1-[ethoxy-(4-methylphenyl)phosphoryl]-4-methylbenzene

1-[ethoxy-(4-methylphenyl)phosphoryl]-4-methylbenzene (PubChem CID 15616106) has the molecular formula C16H19O2P and a molecular weight of 274.30 g/mol. Its IUPAC name is 1-[ethoxy-(4-methylphenyl)phosphoryl]-4-methylbenzene.

Molecular Properties

Compound Name1-[ethoxy-(4-methylphenyl)phosphoryl]-4-methylbenzene
PubChem CID15616106
Molecular FormulaC16H19O2P
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name1-[ethoxy-(4-methylphenyl)phosphoryl]-4-methylbenzene
SMILESCCOP(=O)(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C16H19O2P/c1-4-18-19(17,15-9-5-13(2)6-10-15)16-11-7-14(3)8-12-16/h5-12H,4H2,1-3H3
InChIKeyVENQTTWHAVYHFX-UHFFFAOYSA-N
XLogP3.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.57
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

1-[ethoxy(phenyl)phosphoryl]-4-methylbenzene
CID 11543464
1-chloro-4-[(4-chlorophenyl)-ethoxyphosphoryl]benzene
CID 23280250
1-[ethoxy(phenyl)phosphoryl]-4-phenylbenzene
CID 162415122
1-[ethoxy(propyl)phosphoryl]-4-methylbenzene
CID 23081786
ethoxy-[[ethoxy-(4-methylphenyl)phosphoryl]methyl]phosphinic acid
CID 59986294
diethoxyphosphoryl-(4-methylphenyl)azanium
CID 143511505
N-diethoxyphosphoryl-1-(4-methylphenyl)methanamine
CID 10848734
1-[methoxy(propoxy)phosphoryl]-4-methylbenzene
CID 150763213
1-[ethoxy-(2-methylphenyl)phosphoryl]-2-methylbenzene
CID 23081831
1-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]-4-methylbenzene
CID 71606452
(E)-N-diethoxyphosphoryl-1-(4-methylphenyl)methanimine
CID 24976772
1-diethoxyphosphoryl-2-[ethoxy(phenyl)phosphoryl]benzene
CID 12651419

Frequently Asked Questions

What is the IUPAC name of 1-[ethoxy-(4-methylphenyl)phosphoryl]-4-methylbenzene?
The IUPAC name of 1-[ethoxy-(4-methylphenyl)phosphoryl]-4-methylbenzene (CID 15616106) is 1-[ethoxy-(4-methylphenyl)phosphoryl]-4-methylbenzene.
What is the SMILES notation for 1-[ethoxy-(4-methylphenyl)phosphoryl]-4-methylbenzene?
The canonical SMILES for 1-[ethoxy-(4-methylphenyl)phosphoryl]-4-methylbenzene is CCOP(=O)(c1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of 1-[ethoxy-(4-methylphenyl)phosphoryl]-4-methylbenzene?
The InChIKey is VENQTTWHAVYHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19O2P/c1-4-18-19(17,15-9-5-13(2)6-10-15)16-11-7-14(3)8-12-16/h5-12H,4H2,1-3H3.
What are the key properties of 1-[ethoxy-(4-methylphenyl)phosphoryl]-4-methylbenzene?
1-[ethoxy-(4-methylphenyl)phosphoryl]-4-methylbenzene has a molecular weight of 274.30 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy-(4-methylphenyl)phosphoryl]-4-methylbenzene is sourced from PubChem (CID 15616106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).