methyl 6-(4-methoxyphenyl)-2,3,4-trimethylbenzoate

C18H20O3 — CID 102035727

IUPACmethyl 6-(4-methoxyphenyl)-2,3,4-trimethylbenzoate
SMILESCOC(=O)c1c(-c2ccc(OC)cc2)cc(C)c(C)c1C
InChIInChI=1S/C18H20O3/c1-11-10-16(14-6-8-15(20-4)9-7-14)17(18(19)21-5)13(3)12(11)2/h6-10H,1-5H3
InChIKeyWTFDPQGKUTYBMS-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.07
Rot. Bonds3

About methyl 6-(4-methoxyphenyl)-2,3,4-trimethylbenzoate

methyl 6-(4-methoxyphenyl)-2,3,4-trimethylbenzoate (PubChem CID 102035727) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is methyl 6-(4-methoxyphenyl)-2,3,4-trimethylbenzoate.

Molecular Properties

Compound Namemethyl 6-(4-methoxyphenyl)-2,3,4-trimethylbenzoate
PubChem CID102035727
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Namemethyl 6-(4-methoxyphenyl)-2,3,4-trimethylbenzoate
SMILESCOC(=O)c1c(-c2ccc(OC)cc2)cc(C)c(C)c1C
InChIInChI=1S/C18H20O3/c1-11-10-16(14-6-8-15(20-4)9-7-14)17(18(19)21-5)13(3)12(11)2/h6-10H,1-5H3
InChIKeyWTFDPQGKUTYBMS-UHFFFAOYSA-N
XLogP4.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2,3,4-trimethyl-6-(4-methylphenoxy)benzoate
CID 71428585
methyl 2-(6-methoxynaphthalen-2-yl)-6-methylbenzoate
CID 177480040
5-(4-methoxyphenyl)-1,2,3-trimethylbenzene
CID 132540116
dimethyl 1-(4-methoxyphenyl)-5,6,8-trimethylacenaphthylene-3,4-dicarboxylate
CID 23257682
methyl 5-chloro-2-(4-methoxyphenyl)indolizine-1-carboxylate
CID 101440255
dimethyl 4-(4-methoxyphenyl)benzene-1,2-dicarboxylate
CID 135017986
2-O-ethyl 5-O,6-O-dimethyl 7-(4-methoxyphenyl)-3-methylimidazo[1,2-a]pyridine-2,5,6-tricarboxylate
CID 23257937
4-(4-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 82089759
methyl 6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carboxylate
CID 54390123
methyl 6-(4-methoxyphenyl)-1,3-benzodioxole-5-carboxylate
CID 625404
methyl 5-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carboxylate
CID 25058323
dimethyl 4-(2,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232490

Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-methoxyphenyl)-2,3,4-trimethylbenzoate?
The IUPAC name of methyl 6-(4-methoxyphenyl)-2,3,4-trimethylbenzoate (CID 102035727) is methyl 6-(4-methoxyphenyl)-2,3,4-trimethylbenzoate.
What is the SMILES notation for methyl 6-(4-methoxyphenyl)-2,3,4-trimethylbenzoate?
The canonical SMILES for methyl 6-(4-methoxyphenyl)-2,3,4-trimethylbenzoate is COC(=O)c1c(-c2ccc(OC)cc2)cc(C)c(C)c1C.
What is the InChIKey of methyl 6-(4-methoxyphenyl)-2,3,4-trimethylbenzoate?
The InChIKey is WTFDPQGKUTYBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-11-10-16(14-6-8-15(20-4)9-7-14)17(18(19)21-5)13(3)12(11)2/h6-10H,1-5H3.
What are the key properties of methyl 6-(4-methoxyphenyl)-2,3,4-trimethylbenzoate?
methyl 6-(4-methoxyphenyl)-2,3,4-trimethylbenzoate has a molecular weight of 284.36 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-methoxyphenyl)-2,3,4-trimethylbenzoate is sourced from PubChem (CID 102035727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).