1-[4-[ethoxy(fluoro)phosphoryl]phenyl]-3-methylbenzene

C15H16FO2P — CID 126482926

IUPAC1-[4-[ethoxy(fluoro)phosphoryl]phenyl]-3-methylbenzene
SMILESCCOP(=O)(F)c1ccc(-c2cccc(C)c2)cc1
InChIInChI=1S/C15H16FO2P/c1-3-18-19(16,17)15-9-7-13(8-10-15)14-6-4-5-12(2)11-14/h4-11H,3H2,1-2H3
InChIKeyNOPOPELWXFOTGP-UHFFFAOYSA-N
MW278.26 g/mol
LogP4.49
Rot. Bonds4

About 1-[4-[ethoxy(fluoro)phosphoryl]phenyl]-3-methylbenzene

1-[4-[ethoxy(fluoro)phosphoryl]phenyl]-3-methylbenzene (PubChem CID 126482926) has the molecular formula C15H16FO2P and a molecular weight of 278.26 g/mol. Its IUPAC name is 1-[4-[ethoxy(fluoro)phosphoryl]phenyl]-3-methylbenzene.

Molecular Properties

Compound Name1-[4-[ethoxy(fluoro)phosphoryl]phenyl]-3-methylbenzene
PubChem CID126482926
Molecular FormulaC15H16FO2P
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name1-[4-[ethoxy(fluoro)phosphoryl]phenyl]-3-methylbenzene
SMILESCCOP(=O)(F)c1ccc(-c2cccc(C)c2)cc1
InChIInChI=1S/C15H16FO2P/c1-3-18-19(16,17)15-9-7-13(8-10-15)14-6-4-5-12(2)11-14/h4-11H,3H2,1-2H3
InChIKeyNOPOPELWXFOTGP-UHFFFAOYSA-N
XLogP4.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 54.49
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-[4-[ethoxy(fluoro)phosphoryl]phenyl]-3-methylbenzene?
The IUPAC name of 1-[4-[ethoxy(fluoro)phosphoryl]phenyl]-3-methylbenzene (CID 126482926) is 1-[4-[ethoxy(fluoro)phosphoryl]phenyl]-3-methylbenzene.
What is the SMILES notation for 1-[4-[ethoxy(fluoro)phosphoryl]phenyl]-3-methylbenzene?
The canonical SMILES for 1-[4-[ethoxy(fluoro)phosphoryl]phenyl]-3-methylbenzene is CCOP(=O)(F)c1ccc(-c2cccc(C)c2)cc1.
What is the InChIKey of 1-[4-[ethoxy(fluoro)phosphoryl]phenyl]-3-methylbenzene?
The InChIKey is NOPOPELWXFOTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FO2P/c1-3-18-19(16,17)15-9-7-13(8-10-15)14-6-4-5-12(2)11-14/h4-11H,3H2,1-2H3.
What are the key properties of 1-[4-[ethoxy(fluoro)phosphoryl]phenyl]-3-methylbenzene?
1-[4-[ethoxy(fluoro)phosphoryl]phenyl]-3-methylbenzene has a molecular weight of 278.26 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[ethoxy(fluoro)phosphoryl]phenyl]-3-methylbenzene is sourced from PubChem (CID 126482926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).