[3-fluoro-2-[(2,4,5-trimethylphenoxy)methyl]phenyl] N-methylcarbamate

C18H20FNO3 — CID 122646293

IUPAC[3-fluoro-2-[(2,4,5-trimethylphenoxy)methyl]phenyl] N-methylcarbamate
SMILESCNC(=O)Oc1cccc(F)c1COc1cc(C)c(C)cc1C
InChIInChI=1S/C18H20FNO3/c1-11-8-13(3)17(9-12(11)2)22-10-14-15(19)6-5-7-16(14)23-18(21)20-4/h5-9H,10H2,1-4H3,(H,20,21)
InChIKeyUYJSOPJRQMIXIA-UHFFFAOYSA-N
MW317.36 g/mol
LogP4.05
Rot. Bonds4

About [3-fluoro-2-[(2,4,5-trimethylphenoxy)methyl]phenyl] N-methylcarbamate

[3-fluoro-2-[(2,4,5-trimethylphenoxy)methyl]phenyl] N-methylcarbamate (PubChem CID 122646293) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is [3-fluoro-2-[(2,4,5-trimethylphenoxy)methyl]phenyl] N-methylcarbamate.

Molecular Properties

Compound Name[3-fluoro-2-[(2,4,5-trimethylphenoxy)methyl]phenyl] N-methylcarbamate
PubChem CID122646293
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name[3-fluoro-2-[(2,4,5-trimethylphenoxy)methyl]phenyl] N-methylcarbamate
SMILESCNC(=O)Oc1cccc(F)c1COc1cc(C)c(C)cc1C
InChIInChI=1S/C18H20FNO3/c1-11-8-13(3)17(9-12(11)2)22-10-14-15(19)6-5-7-16(14)23-18(21)20-4/h5-9H,10H2,1-4H3,(H,20,21)
InChIKeyUYJSOPJRQMIXIA-UHFFFAOYSA-N
XLogP4.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-fluoro-2-[(2,4,5-trimethylphenoxy)methyl]phenyl] N-methylcarbamate 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-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-fluorophenyl] N-methylcarbamate
CID 122626883
[3-fluoro-2-[(2,4,5-trimethylphenoxy)methyl]phenoxy]-methoxymethanethione
CID 122646268
O-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-fluorophenyl] N-methylcarbamothioate
CID 122649558
[3-ethoxy-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl] N-methylcarbamate
CID 122649555
[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-fluorophenyl] methylsulfanylformate
CID 122649133
[2-[(4-ethyl-2-methylphenoxy)methyl]-3-methylphenyl] N-methylcarbamate
CID 122649822
[2-[(4-ethyl-5-fluoro-2-methylphenoxy)methyl]-3-fluorophenyl] propanoate
CID 122649068
[2-[(2,4-dimethylphenoxy)methyl]-3-fluorophenyl] propanoate
CID 122645816
[2-[(2,4-dimethylphenoxy)methyl]-3-fluorophenyl] methylsulfanylformate
CID 122646159
[2-[(2,4-dimethylphenoxy)methyl]-3-(sulfanylmethyl)phenyl] N-methylcarbamate
CID 122646178
O-[3-bromo-2-[(2,4,5-trimethylphenoxy)methyl]phenyl] N-methylcarbamothioate
CID 122646306
[2-[(2-chloro-5-fluoro-4-methylphenoxy)methyl]-3-fluorophenyl] methyl carbonate
CID 122645484

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-[(2,4,5-trimethylphenoxy)methyl]phenyl] N-methylcarbamate?
The IUPAC name of [3-fluoro-2-[(2,4,5-trimethylphenoxy)methyl]phenyl] N-methylcarbamate (CID 122646293) is [3-fluoro-2-[(2,4,5-trimethylphenoxy)methyl]phenyl] N-methylcarbamate.
What is the SMILES notation for [3-fluoro-2-[(2,4,5-trimethylphenoxy)methyl]phenyl] N-methylcarbamate?
The canonical SMILES for [3-fluoro-2-[(2,4,5-trimethylphenoxy)methyl]phenyl] N-methylcarbamate is CNC(=O)Oc1cccc(F)c1COc1cc(C)c(C)cc1C.
What is the InChIKey of [3-fluoro-2-[(2,4,5-trimethylphenoxy)methyl]phenyl] N-methylcarbamate?
The InChIKey is UYJSOPJRQMIXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-11-8-13(3)17(9-12(11)2)22-10-14-15(19)6-5-7-16(14)23-18(21)20-4/h5-9H,10H2,1-4H3,(H,20,21).
What are the key properties of [3-fluoro-2-[(2,4,5-trimethylphenoxy)methyl]phenyl] N-methylcarbamate?
[3-fluoro-2-[(2,4,5-trimethylphenoxy)methyl]phenyl] N-methylcarbamate has a molecular weight of 317.36 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-[(2,4,5-trimethylphenoxy)methyl]phenyl] N-methylcarbamate is sourced from PubChem (CID 122646293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).