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

C19H22O3 — CID 121367533

IUPACmethyl 2-[(2,4-dimethylphenoxy)methyl]-3-ethylbenzoate
SMILESCCc1cccc(C(=O)OC)c1COc1ccc(C)cc1C
InChIInChI=1S/C19H22O3/c1-5-15-7-6-8-16(19(20)21-4)17(15)12-22-18-10-9-13(2)11-14(18)3/h6-11H,5,12H2,1-4H3
InChIKeySLNSTEOTIGMLHE-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.23
Rot. Bonds5

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

methyl 2-[(2,4-dimethylphenoxy)methyl]-3-ethylbenzoate (PubChem CID 121367533) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is methyl 2-[(2,4-dimethylphenoxy)methyl]-3-ethylbenzoate.

Molecular Properties

Compound Namemethyl 2-[(2,4-dimethylphenoxy)methyl]-3-ethylbenzoate
PubChem CID121367533
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Namemethyl 2-[(2,4-dimethylphenoxy)methyl]-3-ethylbenzoate
SMILESCCc1cccc(C(=O)OC)c1COc1ccc(C)cc1C
InChIInChI=1S/C19H22O3/c1-5-15-7-6-8-16(19(20)21-4)17(15)12-22-18-10-9-13(2)11-14(18)3/h6-11H,5,12H2,1-4H3
InChIKeySLNSTEOTIGMLHE-UHFFFAOYSA-N
XLogP4.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(2,4-dimethylphenoxy)methyl]-3-methylbenzoate
CID 121367532
methyl 3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]benzoate
CID 121367539
2-[(2,4-dimethylphenoxy)methyl]-3-ethylaniline
CID 118244149
methyl 2-amino-6-[(2,4-dimethylphenoxy)methyl]benzoate
CID 104825290
ethyl 3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]benzoate
CID 121367560
2-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide
CID 118244198
propan-2-yl 3-ethyl-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]benzoate
CID 121367607
2-[(2,4-dimethylphenoxy)methyl]benzohydrazide
CID 63576319
3-ethyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride
CID 121367485
methyl 2-[(2-bromo-4-methylphenoxy)methyl]benzoate
CID 82976395
ethyl 3-bromo-2-[(2,4-dimethylphenoxy)methyl]benzoate;ethyl 3-chloro-2-[(2,4-dimethylphenoxy)methyl]benzoate;ethyl 3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]benzoate;ethyl 2-[(2,4-dimethylphenoxy)methyl]-3-ethylbenzoate;bis(ethyl 2-[(2,4-dimethylphenoxy)methyl]-3-methylbenzoate)
CID 160725472
2-[3-ethyl-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-N-methylacetamide
CID 129039472

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,4-dimethylphenoxy)methyl]-3-ethylbenzoate?
The IUPAC name of methyl 2-[(2,4-dimethylphenoxy)methyl]-3-ethylbenzoate (CID 121367533) is methyl 2-[(2,4-dimethylphenoxy)methyl]-3-ethylbenzoate.
What is the SMILES notation for methyl 2-[(2,4-dimethylphenoxy)methyl]-3-ethylbenzoate?
The canonical SMILES for methyl 2-[(2,4-dimethylphenoxy)methyl]-3-ethylbenzoate is CCc1cccc(C(=O)OC)c1COc1ccc(C)cc1C.
What is the InChIKey of methyl 2-[(2,4-dimethylphenoxy)methyl]-3-ethylbenzoate?
The InChIKey is SLNSTEOTIGMLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-5-15-7-6-8-16(19(20)21-4)17(15)12-22-18-10-9-13(2)11-14(18)3/h6-11H,5,12H2,1-4H3.
What are the key properties of methyl 2-[(2,4-dimethylphenoxy)methyl]-3-ethylbenzoate?
methyl 2-[(2,4-dimethylphenoxy)methyl]-3-ethylbenzoate has a molecular weight of 298.38 g/mol, XLogP of 4.23, 5 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-ethylbenzoate is sourced from PubChem (CID 121367533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).