[2-[(4-ethyl-2-fluorophenoxy)methyl]phenyl] methyl carbonate

C17H17FO4 — CID 122626621

IUPAC[2-[(4-ethyl-2-fluorophenoxy)methyl]phenyl] methyl carbonate
SMILESCCc1ccc(OCc2ccccc2OC(=O)OC)c(F)c1
InChIInChI=1S/C17H17FO4/c1-3-12-8-9-16(14(18)10-12)21-11-13-6-4-5-7-15(13)22-17(19)20-2/h4-10H,3,11H2,1-2H3
InChIKeyBZADIPWLIGTDLT-UHFFFAOYSA-N
MW304.32 g/mol
LogP4.11
Rot. Bonds5

About [2-[(4-ethyl-2-fluorophenoxy)methyl]phenyl] methyl carbonate

[2-[(4-ethyl-2-fluorophenoxy)methyl]phenyl] methyl carbonate (PubChem CID 122626621) has the molecular formula C17H17FO4 and a molecular weight of 304.32 g/mol. Its IUPAC name is [2-[(4-ethyl-2-fluorophenoxy)methyl]phenyl] methyl carbonate.

Molecular Properties

Compound Name[2-[(4-ethyl-2-fluorophenoxy)methyl]phenyl] methyl carbonate
PubChem CID122626621
Molecular FormulaC17H17FO4
Molecular Weight304.32 g/mol
Exact Mass304.11
IUPAC Name[2-[(4-ethyl-2-fluorophenoxy)methyl]phenyl] methyl carbonate
SMILESCCc1ccc(OCc2ccccc2OC(=O)OC)c(F)c1
InChIInChI=1S/C17H17FO4/c1-3-12-8-9-16(14(18)10-12)21-11-13-6-4-5-7-15(13)22-17(19)20-2/h4-10H,3,11H2,1-2H3
InChIKeyBZADIPWLIGTDLT-UHFFFAOYSA-N
XLogP4.11
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-[(4-ethyl-2-fluorophenoxy)methyl]phenyl] methyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(5-chloro-2-fluoro-4-methylphenoxy)methyl]phenyl] methyl carbonate
CID 122645579
[2-[(5-chloro-2,4-diethylphenoxy)methyl]phenyl] methyl carbonate
CID 122649872
(2-ethylphenyl) methyl carbonate
CID 67179071
2-[3-ethoxy-2-[(4-ethyl-2-fluorophenoxy)methyl]phenyl]-N-methylacetamide
CID 126589006
[2-[(4-ethyl-2-fluorophenoxy)methyl]-3-iodophenyl] propanoate
CID 122626819
[2-[(2,5-dichloro-4-methylphenoxy)methyl]phenyl] methyl carbonate
CID 122645598
[3-chloro-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl] methyl carbonate
CID 122649377
methyl 2-fluoro-4-[(2-fluorophenoxy)methyl]benzoate
CID 103749344
2-[2-[(4-ethyl-2-fluorophenoxy)methyl]-3-(trifluoromethyl)phenyl]-N-methylacetamide
CID 126589009
[3-ethoxy-2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl] methyl carbonate
CID 122645685
[2-[(2-cyclopropyl-4,5-dimethylphenoxy)methyl]phenyl] methyl carbonate
CID 122645757
3-(3-fluoro-4-phenylmethoxyphenyl)-2-methylpropanoic acid
CID 70863911

Frequently Asked Questions

What is the IUPAC name of [2-[(4-ethyl-2-fluorophenoxy)methyl]phenyl] methyl carbonate?
The IUPAC name of [2-[(4-ethyl-2-fluorophenoxy)methyl]phenyl] methyl carbonate (CID 122626621) is [2-[(4-ethyl-2-fluorophenoxy)methyl]phenyl] methyl carbonate.
What is the SMILES notation for [2-[(4-ethyl-2-fluorophenoxy)methyl]phenyl] methyl carbonate?
The canonical SMILES for [2-[(4-ethyl-2-fluorophenoxy)methyl]phenyl] methyl carbonate is CCc1ccc(OCc2ccccc2OC(=O)OC)c(F)c1.
What is the InChIKey of [2-[(4-ethyl-2-fluorophenoxy)methyl]phenyl] methyl carbonate?
The InChIKey is BZADIPWLIGTDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO4/c1-3-12-8-9-16(14(18)10-12)21-11-13-6-4-5-7-15(13)22-17(19)20-2/h4-10H,3,11H2,1-2H3.
What are the key properties of [2-[(4-ethyl-2-fluorophenoxy)methyl]phenyl] methyl carbonate?
[2-[(4-ethyl-2-fluorophenoxy)methyl]phenyl] methyl carbonate has a molecular weight of 304.32 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-ethyl-2-fluorophenoxy)methyl]phenyl] methyl carbonate is sourced from PubChem (CID 122626621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).