ethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethylbenzoate

C19H22O4 — CID 14570140

IUPACethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethylbenzoate
SMILESCCOC(=O)c1c(C)cc(-c2ccc(OC)c(OC)c2)cc1C
InChIInChI=1S/C19H22O4/c1-6-23-19(20)18-12(2)9-15(10-13(18)3)14-7-8-16(21-4)17(11-14)22-5/h7-11H,6H2,1-5H3
InChIKeyDICDJAGMFLKCPG-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.16
Rot. Bonds5

About ethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethylbenzoate

ethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethylbenzoate (PubChem CID 14570140) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is ethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethylbenzoate.

Molecular Properties

Compound Nameethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethylbenzoate
PubChem CID14570140
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Nameethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethylbenzoate
SMILESCCOC(=O)c1c(C)cc(-c2ccc(OC)c(OC)c2)cc1C
InChIInChI=1S/C19H22O4/c1-6-23-19(20)18-12(2)9-15(10-13(18)3)14-7-8-16(21-4)17(11-14)22-5/h7-11H,6H2,1-5H3
InChIKeyDICDJAGMFLKCPG-UHFFFAOYSA-N
XLogP4.16
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-amino-3-(3,4-dimethoxyphenyl)-1,2-oxazole-4-carboxylate
CID 25219814
ethyl 2-amino-4-(4-methoxy-3-methylphenyl)-5-methylthiophene-3-carboxylate
CID 82028154
ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-pyrrol-1-ylthiophene-3-carboxylate
CID 23876181
ethyl 4-(3,4-dimethoxyphenyl)-2-pyrrol-1-ylthiophene-3-carboxylate
CID 23792522
ethyl 4-(3-hydroxy-4-methoxyphenyl)benzoate
CID 53221031
ethyl 5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-3-carboxylate
CID 63379413
ethyl 2-hydroxy-4-(3,4,5-trimethoxyphenyl)benzoate
CID 51042654
ethyl 2-amino-3-[4-(3,4-dimethoxyphenyl)phenyl]propanoate
CID 170884969
ethyl 4-formyl-2-methoxy-6-methylbenzoate
CID 171024646
ethyl 2-(cyclohexanecarbonylamino)-4-(3,4-dimethoxyphenyl)-5-methylthiophene-3-carboxylate
CID 2946707
ethyl 5-(3,4-dimethoxyphenyl)-2-ethoxyfuran-3-carboxylate
CID 14115361
2-O-ethyl 3-O-methyl 4-(3,4-dimethoxyphenyl)-1-hydroxy-5,6,7-trimethoxynaphthalene-2,3-dicarboxylate
CID 10368697

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethylbenzoate?
The IUPAC name of ethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethylbenzoate (CID 14570140) is ethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethylbenzoate.
What is the SMILES notation for ethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethylbenzoate?
The canonical SMILES for ethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethylbenzoate is CCOC(=O)c1c(C)cc(-c2ccc(OC)c(OC)c2)cc1C.
What is the InChIKey of ethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethylbenzoate?
The InChIKey is DICDJAGMFLKCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-6-23-19(20)18-12(2)9-15(10-13(18)3)14-7-8-16(21-4)17(11-14)22-5/h7-11H,6H2,1-5H3.
What are the key properties of ethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethylbenzoate?
ethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethylbenzoate has a molecular weight of 314.38 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethylbenzoate is sourced from PubChem (CID 14570140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).