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

C15H17O2P — CID 11543464

IUPAC1-[ethoxy(phenyl)phosphoryl]-4-methylbenzene
SMILESCCOP(=O)(c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C15H17O2P/c1-3-17-18(16,14-7-5-4-6-8-14)15-11-9-13(2)10-12-15/h4-12H,3H2,1-2H3
InChIKeyMORBEBGOBMCBSQ-UHFFFAOYSA-N
MW260.27 g/mol
LogP3.26
Rot. Bonds4

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

1-[ethoxy(phenyl)phosphoryl]-4-methylbenzene (PubChem CID 11543464) has the molecular formula C15H17O2P and a molecular weight of 260.27 g/mol. Its IUPAC name is 1-[ethoxy(phenyl)phosphoryl]-4-methylbenzene.

Molecular Properties

Compound Name1-[ethoxy(phenyl)phosphoryl]-4-methylbenzene
PubChem CID11543464
Molecular FormulaC15H17O2P
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name1-[ethoxy(phenyl)phosphoryl]-4-methylbenzene
SMILESCCOP(=O)(c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C15H17O2P/c1-3-17-18(16,14-7-5-4-6-8-14)15-11-9-13(2)10-12-15/h4-12H,3H2,1-2H3
InChIKeyMORBEBGOBMCBSQ-UHFFFAOYSA-N
XLogP3.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 53.26
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-(4-methylphenyl)phosphoryl]-4-methylbenzene
CID 15616106
1-[ethoxy(phenyl)phosphoryl]-4-phenylbenzene
CID 162415122
1-(4-diphenylphosphorylphenyl)-4-methylbenzene
CID 11233983
1-diethoxyphosphoryl-2-[ethoxy(phenyl)phosphoryl]benzene
CID 12651419
1-chloro-4-[(4-chlorophenyl)-ethoxyphosphoryl]benzene
CID 23280250
1-diethoxyphosphoryl-4-phenylbenzene
CID 12670613
[ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene
CID 23415634
methyl 3-[ethoxy(phenyl)phosphoryl]benzoate
CID 135065720
1-[ethoxy(propyl)phosphoryl]-4-methylbenzene
CID 23081786
1-[ethoxy-(2-methylphenyl)phosphoryl]-2-methylbenzene
CID 23081831
1-methyl-4-[[(4-methylphenyl)methoxy-phenylphosphoryl]oxymethyl]benzene
CID 101025197
2-diphenylphosphorylethyl(ethoxy)phosphinic acid
CID 102209255

Frequently Asked Questions

What is the IUPAC name of 1-[ethoxy(phenyl)phosphoryl]-4-methylbenzene?
The IUPAC name of 1-[ethoxy(phenyl)phosphoryl]-4-methylbenzene (CID 11543464) is 1-[ethoxy(phenyl)phosphoryl]-4-methylbenzene.
What is the SMILES notation for 1-[ethoxy(phenyl)phosphoryl]-4-methylbenzene?
The canonical SMILES for 1-[ethoxy(phenyl)phosphoryl]-4-methylbenzene is CCOP(=O)(c1ccccc1)c1ccc(C)cc1.
What is the InChIKey of 1-[ethoxy(phenyl)phosphoryl]-4-methylbenzene?
The InChIKey is MORBEBGOBMCBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17O2P/c1-3-17-18(16,14-7-5-4-6-8-14)15-11-9-13(2)10-12-15/h4-12H,3H2,1-2H3.
What are the key properties of 1-[ethoxy(phenyl)phosphoryl]-4-methylbenzene?
1-[ethoxy(phenyl)phosphoryl]-4-methylbenzene has a molecular weight of 260.27 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy(phenyl)phosphoryl]-4-methylbenzene is sourced from PubChem (CID 11543464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).