[3-ethoxy-2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl] methyl carbonate

C19H21FO5 — CID 122645685

IUPAC[3-ethoxy-2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl] methyl carbonate
SMILESCCOc1cccc(OC(=O)OC)c1COc1cc(C)c(C)cc1F
InChIInChI=1S/C19H21FO5/c1-5-23-16-7-6-8-17(25-19(21)22-4)14(16)11-24-18-10-13(3)12(2)9-15(18)20/h6-10H,5,11H2,1-4H3
InChIKeyFQDQESHVBSWCCK-UHFFFAOYSA-N
MW348.37 g/mol
LogP4.57
Rot. Bonds6

About [3-ethoxy-2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl] methyl carbonate

[3-ethoxy-2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl] methyl carbonate (PubChem CID 122645685) has the molecular formula C19H21FO5 and a molecular weight of 348.37 g/mol. Its IUPAC name is [3-ethoxy-2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl] methyl carbonate.

Molecular Properties

Compound Name[3-ethoxy-2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl] methyl carbonate
PubChem CID122645685
Molecular FormulaC19H21FO5
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC Name[3-ethoxy-2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl] methyl carbonate
SMILESCCOc1cccc(OC(=O)OC)c1COc1cc(C)c(C)cc1F
InChIInChI=1S/C19H21FO5/c1-5-23-16-7-6-8-17(25-19(21)22-4)14(16)11-24-18-10-13(3)12(2)9-15(18)20/h6-10H,5,11H2,1-4H3
InChIKeyFQDQESHVBSWCCK-UHFFFAOYSA-N
XLogP4.57
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-[(2-fluoro-4,5-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl] methyl carbonate
CID 122645682
[3-ethoxy-2-[(3-fluoro-4-methylphenoxy)methyl]phenyl] methyl carbonate
CID 122645469
[3-cyclopropyl-2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl] methyl carbonate
CID 122645686
[2-[(5-chloro-2-ethyl-4-methylphenoxy)methyl]-3-ethoxyphenyl] methyl carbonate
CID 122645628
[2-[(3-chloro-4-methylphenoxy)methyl]-3-ethoxyphenyl] methyl carbonate
CID 122645574
[2-[(2-ethyl-4,5-dimethylphenoxy)methyl]-3-methylphenyl] methyl carbonate
CID 122645722
[2-[(2-bromo-4,5-dimethylphenoxy)methyl]-3-ethoxyphenyl] propanoate
CID 122646090
methyl N-[3-ethoxy-2-[(4-ethyl-2-fluoro-5-methylphenoxy)methyl]phenyl]carbamate
CID 126587722
[3-ethoxy-2-[(2,4,5-trimethylphenoxy)methyl]phenoxy]-methoxymethanethione
CID 122646281
[2-[(5-chloro-2-fluoro-4-methylphenoxy)methyl]phenyl] methyl carbonate
CID 122645579
[2-[(2-chloro-5-fluoro-4-methylphenoxy)methyl]-3-fluorophenyl] methyl carbonate
CID 122645484
[2-[(2-bromo-5-fluoro-4-methylphenoxy)methyl]-3-ethylphenyl] methyl carbonate
CID 122645516

Frequently Asked Questions

What is the IUPAC name of [3-ethoxy-2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl] methyl carbonate?
The IUPAC name of [3-ethoxy-2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl] methyl carbonate (CID 122645685) is [3-ethoxy-2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl] methyl carbonate.
What is the SMILES notation for [3-ethoxy-2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl] methyl carbonate?
The canonical SMILES for [3-ethoxy-2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl] methyl carbonate is CCOc1cccc(OC(=O)OC)c1COc1cc(C)c(C)cc1F.
What is the InChIKey of [3-ethoxy-2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl] methyl carbonate?
The InChIKey is FQDQESHVBSWCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FO5/c1-5-23-16-7-6-8-17(25-19(21)22-4)14(16)11-24-18-10-13(3)12(2)9-15(18)20/h6-10H,5,11H2,1-4H3.
What are the key properties of [3-ethoxy-2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl] methyl carbonate?
[3-ethoxy-2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl] methyl carbonate has a molecular weight of 348.37 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethoxy-2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl] methyl carbonate is sourced from PubChem (CID 122645685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).