methyl 2-[2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl]acetate

C18H19FO3 — CID 129039037

IUPACmethyl 2-[2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1COc1cc(C)c(C)cc1F
InChIInChI=1S/C18H19FO3/c1-12-8-16(19)17(9-13(12)2)22-11-15-7-5-4-6-14(15)10-18(20)21-3/h4-9H,10-11H2,1-3H3
InChIKeyQCNNGWKWOZCDIT-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.74
Rot. Bonds5

About methyl 2-[2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl]acetate

methyl 2-[2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl]acetate (PubChem CID 129039037) has the molecular formula C18H19FO3 and a molecular weight of 302.35 g/mol. Its IUPAC name is methyl 2-[2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl]acetate
PubChem CID129039037
Molecular FormulaC18H19FO3
Molecular Weight302.35 g/mol
Exact Mass302.13
IUPAC Namemethyl 2-[2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1COc1cc(C)c(C)cc1F
InChIInChI=1S/C18H19FO3/c1-12-8-16(19)17(9-13(12)2)22-11-15-7-5-4-6-14(15)10-18(20)21-3/h4-9H,10-11H2,1-3H3
InChIKeyQCNNGWKWOZCDIT-UHFFFAOYSA-N
XLogP3.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-[(2-fluoro-4,5-dimethylphenoxy)methyl]-3-iodophenyl]acetate
CID 129039351
methyl 2-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]acetate
CID 126588250
methyl 2-[2-[(2-fluoro-5-methyl-4-sulfanylphenoxy)methyl]-3-methylphenyl]acetate
CID 144933398
methyl 2-[2-[(2-bromo-4-methylphenoxy)methyl]phenyl]acetate
CID 115460643
[2-[(5-chloro-2-fluoro-4-methylphenoxy)methyl]phenyl] methyl carbonate
CID 122645579
N-methyl-2-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]acetamide
CID 129039360
[2-[(2-fluoro-4,5-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl] methyl carbonate
CID 122645682
[3-ethoxy-2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl] methyl carbonate
CID 122645685
methyl 2-(2-fluoro-3-methylphenyl)acetate
CID 130064946
ethane;methyl 2-(2-methylphenyl)acetate
CID 142489189
methyl 2-[2-(2-oxopropyl)phenyl]acetate
CID 70551388
N-[3-fluoro-2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl]propanamide
CID 129038618

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl]acetate?
The IUPAC name of methyl 2-[2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl]acetate (CID 129039037) is methyl 2-[2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl]acetate?
The canonical SMILES for methyl 2-[2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl]acetate is COC(=O)Cc1ccccc1COc1cc(C)c(C)cc1F.
What is the InChIKey of methyl 2-[2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl]acetate?
The InChIKey is QCNNGWKWOZCDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO3/c1-12-8-16(19)17(9-13(12)2)22-11-15-7-5-4-6-14(15)10-18(20)21-3/h4-9H,10-11H2,1-3H3.
What are the key properties of methyl 2-[2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl]acetate?
methyl 2-[2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl]acetate has a molecular weight of 302.35 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl]acetate is sourced from PubChem (CID 129039037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).