ethyl 3,4-dimethoxy-2-methylbenzoate

C12H16O4 — CID 23043983

IUPACethyl 3,4-dimethoxy-2-methylbenzoate
SMILESCCOC(=O)c1ccc(OC)c(OC)c1C
InChIInChI=1S/C12H16O4/c1-5-16-12(13)9-6-7-10(14-3)11(15-4)8(9)2/h6-7H,5H2,1-4H3
InChIKeyXDBWDZXQUNWXAH-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.19
Rot. Bonds4

About ethyl 3,4-dimethoxy-2-methylbenzoate

ethyl 3,4-dimethoxy-2-methylbenzoate (PubChem CID 23043983) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is ethyl 3,4-dimethoxy-2-methylbenzoate.

Molecular Properties

Compound Nameethyl 3,4-dimethoxy-2-methylbenzoate
PubChem CID23043983
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Nameethyl 3,4-dimethoxy-2-methylbenzoate
SMILESCCOC(=O)c1ccc(OC)c(OC)c1C
InChIInChI=1S/C12H16O4/c1-5-16-12(13)9-6-7-10(14-3)11(15-4)8(9)2/h6-7H,5H2,1-4H3
InChIKeyXDBWDZXQUNWXAH-UHFFFAOYSA-N
XLogP2.19
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;ethyl 4-bromo-3-methoxy-2-methylbenzoate
CID 144722957
ethyl 2-chloro-4-methoxy-3-methylbenzoate
CID 164892224
ethane;ethyl 3-fluoro-4,5-dimethoxy-2-methylbenzoate
CID 178095802
ethyl 4-ethylsulfanyl-2-methoxybenzoate
CID 91876131
ethyl 2-amino-3-fluoro-4-methoxybenzoate
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ethyl 2-ethoxy-3-methoxybenzoate
CID 82186199
ethyl 3-amino-2-chloro-4-methoxybenzoate
CID 166071385
ethyl 3,8-dimethoxynaphthalene-2-carboxylate
CID 170872170
ethyl 5-amino-2-methoxybenzoate
CID 22180184
ethyl 4-ethyl-6,7-dimethoxynaphthalene-1-carboxylate
CID 141201124
ethyl 2-methoxy-4-propan-2-ylbenzoate
CID 116964804
ethyl 3-oxo-3-(2,3,4-trimethoxyphenyl)propanoate
CID 21243225

Frequently Asked Questions

What is the IUPAC name of ethyl 3,4-dimethoxy-2-methylbenzoate?
The IUPAC name of ethyl 3,4-dimethoxy-2-methylbenzoate (CID 23043983) is ethyl 3,4-dimethoxy-2-methylbenzoate.
What is the SMILES notation for ethyl 3,4-dimethoxy-2-methylbenzoate?
The canonical SMILES for ethyl 3,4-dimethoxy-2-methylbenzoate is CCOC(=O)c1ccc(OC)c(OC)c1C.
What is the InChIKey of ethyl 3,4-dimethoxy-2-methylbenzoate?
The InChIKey is XDBWDZXQUNWXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-5-16-12(13)9-6-7-10(14-3)11(15-4)8(9)2/h6-7H,5H2,1-4H3.
What are the key properties of ethyl 3,4-dimethoxy-2-methylbenzoate?
ethyl 3,4-dimethoxy-2-methylbenzoate has a molecular weight of 224.26 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,4-dimethoxy-2-methylbenzoate is sourced from PubChem (CID 23043983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).