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

C18H20O3 — CID 121367532

IUPACmethyl 2-[(2,4-dimethylphenoxy)methyl]-3-methylbenzoate
SMILESCOC(=O)c1cccc(C)c1COc1ccc(C)cc1C
InChIInChI=1S/C18H20O3/c1-12-8-9-17(14(3)10-12)21-11-16-13(2)6-5-7-15(16)18(19)20-4/h5-10H,11H2,1-4H3
InChIKeyZPXWTYOOMLNIAB-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.98
Rot. Bonds4

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

methyl 2-[(2,4-dimethylphenoxy)methyl]-3-methylbenzoate (PubChem CID 121367532) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is methyl 2-[(2,4-dimethylphenoxy)methyl]-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 2-[(2,4-dimethylphenoxy)methyl]-3-methylbenzoate
PubChem CID121367532
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Namemethyl 2-[(2,4-dimethylphenoxy)methyl]-3-methylbenzoate
SMILESCOC(=O)c1cccc(C)c1COc1ccc(C)cc1C
InChIInChI=1S/C18H20O3/c1-12-8-9-17(14(3)10-12)21-11-16-13(2)6-5-7-15(16)18(19)20-4/h5-10H,11H2,1-4H3
InChIKeyZPXWTYOOMLNIAB-UHFFFAOYSA-N
XLogP3.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

methyl 2-[(2,4-dimethylphenoxy)methyl]-3-ethylbenzoate
CID 121367533
2-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide
CID 118244198
methyl 3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]benzoate
CID 121367539
methyl 2-[(5-fluoro-2,4-dimethylphenoxy)methyl]-3-methylbenzoate
CID 121367543
ethyl 3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]benzoate
CID 121367560
N-chloro-2-[(4-hydroxy-2-methylphenoxy)methyl]-3-methylbenzamide
CID 129110227
methyl 2-amino-6-[(2,4-dimethylphenoxy)methyl]benzoate
CID 104825290
2-[2-[(2,4-dimethylphenoxy)methyl]-3-fluorophenyl]-N-methyl-2-oxoacetamide
CID 129039162
CID 88887659
CID 88887659
N-hydroxy-3-methyl-2-[(2,4,5-trimethylphenoxy)methyl]benzamide
CID 118244206
O-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl] N-methylcarbamothioate
CID 122646183
2-[(2,4-dimethylphenoxy)methyl]benzohydrazide
CID 63576319

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,4-dimethylphenoxy)methyl]-3-methylbenzoate?
The IUPAC name of methyl 2-[(2,4-dimethylphenoxy)methyl]-3-methylbenzoate (CID 121367532) is methyl 2-[(2,4-dimethylphenoxy)methyl]-3-methylbenzoate.
What is the SMILES notation for methyl 2-[(2,4-dimethylphenoxy)methyl]-3-methylbenzoate?
The canonical SMILES for methyl 2-[(2,4-dimethylphenoxy)methyl]-3-methylbenzoate is COC(=O)c1cccc(C)c1COc1ccc(C)cc1C.
What is the InChIKey of methyl 2-[(2,4-dimethylphenoxy)methyl]-3-methylbenzoate?
The InChIKey is ZPXWTYOOMLNIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-12-8-9-17(14(3)10-12)21-11-16-13(2)6-5-7-15(16)18(19)20-4/h5-10H,11H2,1-4H3.
What are the key properties of methyl 2-[(2,4-dimethylphenoxy)methyl]-3-methylbenzoate?
methyl 2-[(2,4-dimethylphenoxy)methyl]-3-methylbenzoate has a molecular weight of 284.36 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,4-dimethylphenoxy)methyl]-3-methylbenzoate is sourced from PubChem (CID 121367532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).