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

Name: Methyl 2-[2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl]acetate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₈H₁₉FO₃ — CID 129039037

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	Methyl 2-[2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl]acetate
PubChem CID	129039037
Molecular Formula	C₁₈H₁₉FO₃
Molecular Weight	302.35 g/mol
Exact Mass	302.13
IUPAC Name	methyl 2-[2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl]acetate
SMILES	COC(=O)Cc1ccccc1COc1cc(C)c(C)cc1F
InChI	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
InChIKey	QCNNGWKWOZCDIT-UHFFFAOYSA-N
XLogP	3.74
TPSA	35.53 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	5
Heavy Atoms	22
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	302.35
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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).

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Sources

PubChem CID 129039037 — identifiers, structure, computed properties (public domain)

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