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

C12H19O2P — CID 23081786

IUPAC1-[ethoxy(propyl)phosphoryl]-4-methylbenzene
SMILESCCCP(=O)(OCC)c1ccc(C)cc1
InChIInChI=1S/C12H19O2P/c1-4-10-15(13,14-5-2)12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3
InChIKeyBYWHPYCAGISUIO-UHFFFAOYSA-N
MW226.26 g/mol
LogP3.34
Rot. Bonds5

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

1-[ethoxy(propyl)phosphoryl]-4-methylbenzene (PubChem CID 23081786) has the molecular formula C12H19O2P and a molecular weight of 226.26 g/mol. Its IUPAC name is 1-[ethoxy(propyl)phosphoryl]-4-methylbenzene.

Molecular Properties

Compound Name1-[ethoxy(propyl)phosphoryl]-4-methylbenzene
PubChem CID23081786
Molecular FormulaC12H19O2P
Molecular Weight226.26 g/mol
Exact Mass226.11
IUPAC Name1-[ethoxy(propyl)phosphoryl]-4-methylbenzene
SMILESCCCP(=O)(OCC)c1ccc(C)cc1
InChIInChI=1S/C12H19O2P/c1-4-10-15(13,14-5-2)12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3
InChIKeyBYWHPYCAGISUIO-UHFFFAOYSA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[ethoxy(propyl)phosphoryl]-4-methylbenzene?
The IUPAC name of 1-[ethoxy(propyl)phosphoryl]-4-methylbenzene (CID 23081786) is 1-[ethoxy(propyl)phosphoryl]-4-methylbenzene.
What is the SMILES notation for 1-[ethoxy(propyl)phosphoryl]-4-methylbenzene?
The canonical SMILES for 1-[ethoxy(propyl)phosphoryl]-4-methylbenzene is CCCP(=O)(OCC)c1ccc(C)cc1.
What is the InChIKey of 1-[ethoxy(propyl)phosphoryl]-4-methylbenzene?
The InChIKey is BYWHPYCAGISUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19O2P/c1-4-10-15(13,14-5-2)12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3.
What are the key properties of 1-[ethoxy(propyl)phosphoryl]-4-methylbenzene?
1-[ethoxy(propyl)phosphoryl]-4-methylbenzene has a molecular weight of 226.26 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy(propyl)phosphoryl]-4-methylbenzene is sourced from PubChem (CID 23081786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).