methyl 2-[(2-methylphenoxy)methyl]benzoate

C16H16O3 — CID 11043352

IUPACmethyl 2-[(2-methylphenoxy)methyl]benzoate
SMILESCOC(=O)c1ccccc1COc1ccccc1C
InChIInChI=1S/C16H16O3/c1-12-7-3-6-10-15(12)19-11-13-8-4-5-9-14(13)16(17)18-2/h3-10H,11H2,1-2H3
InChIKeyGGHBSPYRYQTBDW-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.36
Rot. Bonds4

About methyl 2-[(2-methylphenoxy)methyl]benzoate

methyl 2-[(2-methylphenoxy)methyl]benzoate (PubChem CID 11043352) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is methyl 2-[(2-methylphenoxy)methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-methylphenoxy)methyl]benzoate
PubChem CID11043352
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Namemethyl 2-[(2-methylphenoxy)methyl]benzoate
SMILESCOC(=O)c1ccccc1COc1ccccc1C
InChIInChI=1S/C16H16O3/c1-12-7-3-6-10-15(12)19-11-13-8-4-5-9-14(13)16(17)18-2/h3-10H,11H2,1-2H3
InChIKeyGGHBSPYRYQTBDW-UHFFFAOYSA-N
XLogP3.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(2-methoxyphenoxy)methyl]benzoate
CID 82975589
2-[(2-methoxycarbonylphenoxy)methyl]benzoic acid
CID 70197769
methyl 2-hydroxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate
CID 85386374
[2-[(2-methylphenoxy)methyl]phenyl]-pyridin-2-ylmethanone
CID 21264597
N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]but-2-enamide
CID 54096799
methyl 2-[(2-bromo-4-methylphenoxy)methyl]benzoate
CID 82976395
(2Z)-2-methoxyimino-N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]acetamide
CID 15335383
methyl 2-[2-(2-methylphenyl)ethyl]benzoate
CID 118040129
methyl 2-[(3-hydroxy-2-propylphenoxy)methyl]benzoate
CID 54149611
(2Z)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetyl chloride
CID 15300766
1-O-methyl 2-O-(2-methylphenyl) benzene-1,2-dicarboxylate
CID 6424489
methyl 2-[(5,6-dimethylpyridazin-3-yl)oxymethyl]benzoate
CID 75454570

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylphenoxy)methyl]benzoate?
The IUPAC name of methyl 2-[(2-methylphenoxy)methyl]benzoate (CID 11043352) is methyl 2-[(2-methylphenoxy)methyl]benzoate.
What is the SMILES notation for methyl 2-[(2-methylphenoxy)methyl]benzoate?
The canonical SMILES for methyl 2-[(2-methylphenoxy)methyl]benzoate is COC(=O)c1ccccc1COc1ccccc1C.
What is the InChIKey of methyl 2-[(2-methylphenoxy)methyl]benzoate?
The InChIKey is GGHBSPYRYQTBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-12-7-3-6-10-15(12)19-11-13-8-4-5-9-14(13)16(17)18-2/h3-10H,11H2,1-2H3.
What are the key properties of methyl 2-[(2-methylphenoxy)methyl]benzoate?
methyl 2-[(2-methylphenoxy)methyl]benzoate has a molecular weight of 256.30 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylphenoxy)methyl]benzoate is sourced from PubChem (CID 11043352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).