methyl 2-[(5-fluoro-2,4-dimethylphenoxy)methyl]-3-methylbenzoate

C18H19FO3 — CID 121367543

IUPACmethyl 2-[(5-fluoro-2,4-dimethylphenoxy)methyl]-3-methylbenzoate
SMILESCOC(=O)c1cccc(C)c1COc1cc(F)c(C)cc1C
InChIInChI=1S/C18H19FO3/c1-11-6-5-7-14(18(20)21-4)15(11)10-22-17-9-16(19)12(2)8-13(17)3/h5-9H,10H2,1-4H3
InChIKeySUJDPISGGZZQET-UHFFFAOYSA-N
MW302.35 g/mol
LogP4.12
Rot. Bonds4

About methyl 2-[(5-fluoro-2,4-dimethylphenoxy)methyl]-3-methylbenzoate

methyl 2-[(5-fluoro-2,4-dimethylphenoxy)methyl]-3-methylbenzoate (PubChem CID 121367543) has the molecular formula C18H19FO3 and a molecular weight of 302.35 g/mol. Its IUPAC name is methyl 2-[(5-fluoro-2,4-dimethylphenoxy)methyl]-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 2-[(5-fluoro-2,4-dimethylphenoxy)methyl]-3-methylbenzoate
PubChem CID121367543
Molecular FormulaC18H19FO3
Molecular Weight302.35 g/mol
Exact Mass302.13
IUPAC Namemethyl 2-[(5-fluoro-2,4-dimethylphenoxy)methyl]-3-methylbenzoate
SMILESCOC(=O)c1cccc(C)c1COc1cc(F)c(C)cc1C
InChIInChI=1S/C18H19FO3/c1-11-6-5-7-14(18(20)21-4)15(11)10-22-17-9-16(19)12(2)8-13(17)3/h5-9H,10H2,1-4H3
InChIKeySUJDPISGGZZQET-UHFFFAOYSA-N
XLogP4.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(2,4-dimethylphenoxy)methyl]-3-methylbenzoate
CID 121367532
N-hydroxy-3-methyl-2-[(2,4,5-trimethylphenoxy)methyl]benzamide
CID 118244206
3-cyclopropyl-2-[(5-fluoro-2,4-dimethylphenoxy)methyl]benzoyl bromide
CID 121367519
methyl 2-[(2,4-dimethylphenoxy)methyl]-3-ethylbenzoate
CID 121367533
[2-[(2-cyclopropyl-5-fluoro-4-methylphenoxy)methyl]-3-methylphenyl] methyl carbonate
CID 122645562
CID 88887659
CID 88887659
methyl 2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-methylbenzoate
CID 126575695
methyl 3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate
CID 138495699
[2-[(2-chloro-5-fluoro-4-methylphenoxy)methyl]-3-fluorophenyl] methyl carbonate
CID 122645484
methyl 2-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-fluorophenyl]-2-oxoacetate
CID 126588290
methyl 3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]benzoate
CID 121367539
2-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide
CID 118244198

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-fluoro-2,4-dimethylphenoxy)methyl]-3-methylbenzoate?
The IUPAC name of methyl 2-[(5-fluoro-2,4-dimethylphenoxy)methyl]-3-methylbenzoate (CID 121367543) is methyl 2-[(5-fluoro-2,4-dimethylphenoxy)methyl]-3-methylbenzoate.
What is the SMILES notation for methyl 2-[(5-fluoro-2,4-dimethylphenoxy)methyl]-3-methylbenzoate?
The canonical SMILES for methyl 2-[(5-fluoro-2,4-dimethylphenoxy)methyl]-3-methylbenzoate is COC(=O)c1cccc(C)c1COc1cc(F)c(C)cc1C.
What is the InChIKey of methyl 2-[(5-fluoro-2,4-dimethylphenoxy)methyl]-3-methylbenzoate?
The InChIKey is SUJDPISGGZZQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO3/c1-11-6-5-7-14(18(20)21-4)15(11)10-22-17-9-16(19)12(2)8-13(17)3/h5-9H,10H2,1-4H3.
What are the key properties of methyl 2-[(5-fluoro-2,4-dimethylphenoxy)methyl]-3-methylbenzoate?
methyl 2-[(5-fluoro-2,4-dimethylphenoxy)methyl]-3-methylbenzoate has a molecular weight of 302.35 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-fluoro-2,4-dimethylphenoxy)methyl]-3-methylbenzoate is sourced from PubChem (CID 121367543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).