ethyl 2-methyl-6-phenylmethoxybenzoate

C17H18O3 — CID 67461909

IUPACethyl 2-methyl-6-phenylmethoxybenzoate
SMILESCCOC(=O)c1c(C)cccc1OCc1ccccc1
InChIInChI=1S/C17H18O3/c1-3-19-17(18)16-13(2)8-7-11-15(16)20-12-14-9-5-4-6-10-14/h4-11H,3,12H2,1-2H3
InChIKeyVTWUFAVZKFNVIS-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.75
Rot. Bonds5

About ethyl 2-methyl-6-phenylmethoxybenzoate

ethyl 2-methyl-6-phenylmethoxybenzoate (PubChem CID 67461909) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is ethyl 2-methyl-6-phenylmethoxybenzoate.

Molecular Properties

Compound Nameethyl 2-methyl-6-phenylmethoxybenzoate
PubChem CID67461909
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Nameethyl 2-methyl-6-phenylmethoxybenzoate
SMILESCCOC(=O)c1c(C)cccc1OCc1ccccc1
InChIInChI=1S/C17H18O3/c1-3-19-17(18)16-13(2)8-7-11-15(16)20-12-14-9-5-4-6-10-14/h4-11H,3,12H2,1-2H3
InChIKeyVTWUFAVZKFNVIS-UHFFFAOYSA-N
XLogP3.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-hydroxyethoxy)-6-methylbenzoate
CID 10585223
ethyl 3-acetyl-2-bromo-6-phenylmethoxybenzoate
CID 91863483
ethyl 6-acetyl-2-methyl-3-phenylmethoxybenzoate
CID 91864126
ethyl 2,6-dimethylbenzoate
CID 520807
benzyl 2-(2-ethoxycarbonylphenyl)-6-methylbenzoate
CID 170993079
ethyl 6-acetyl-2-fluoro-3-phenylmethoxybenzoate
CID 91864113
(2-methyl-6-phenylmethoxyphenyl) acetate
CID 67719682
4-ethoxycarbonyl-2,5-bis(phenylmethoxy)benzoic acid
CID 156760748
2-(2-methyl-6-phenylmethoxyphenyl)acetic acid
CID 14519888
1-(2-ethoxy-6-methylphenyl)ethanone
CID 54221624
ethyl 2-methyl-6-(trifluoromethylsulfonyloxy)benzoate
CID 22241348
ethyl 4-amino-3-phenylmethoxybenzoate
CID 79021529

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-6-phenylmethoxybenzoate?
The IUPAC name of ethyl 2-methyl-6-phenylmethoxybenzoate (CID 67461909) is ethyl 2-methyl-6-phenylmethoxybenzoate.
What is the SMILES notation for ethyl 2-methyl-6-phenylmethoxybenzoate?
The canonical SMILES for ethyl 2-methyl-6-phenylmethoxybenzoate is CCOC(=O)c1c(C)cccc1OCc1ccccc1.
What is the InChIKey of ethyl 2-methyl-6-phenylmethoxybenzoate?
The InChIKey is VTWUFAVZKFNVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-3-19-17(18)16-13(2)8-7-11-15(16)20-12-14-9-5-4-6-10-14/h4-11H,3,12H2,1-2H3.
What are the key properties of ethyl 2-methyl-6-phenylmethoxybenzoate?
ethyl 2-methyl-6-phenylmethoxybenzoate has a molecular weight of 270.33 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-6-phenylmethoxybenzoate is sourced from PubChem (CID 67461909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).