3-(2,4-dimethoxyphenyl)-2-methylbenzoate

C16H15O4- — CID 86307310

IUPAC3-(2,4-dimethoxyphenyl)-2-methylbenzoate
SMILESCOc1ccc(-c2cccc(C(=O)[O-])c2C)c(OC)c1
InChIInChI=1S/C16H16O4/c1-10-12(5-4-6-13(10)16(17)18)14-8-7-11(19-2)9-15(14)20-3/h4-9H,1-3H3,(H,17,18)/p-1
InChIKeyZLKBRRAHIAWGQY-UHFFFAOYSA-M
MW271.29 g/mol
LogP2.04
Rot. Bonds4

About 3-(2,4-dimethoxyphenyl)-2-methylbenzoate

3-(2,4-dimethoxyphenyl)-2-methylbenzoate (PubChem CID 86307310) has the molecular formula C16H15O4- and a molecular weight of 271.29 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-2-methylbenzoate.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-2-methylbenzoate
PubChem CID86307310
Molecular FormulaC16H15O4-
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name3-(2,4-dimethoxyphenyl)-2-methylbenzoate
SMILESCOc1ccc(-c2cccc(C(=O)[O-])c2C)c(OC)c1
InChIInChI=1S/C16H16O4/c1-10-12(5-4-6-13(10)16(17)18)14-8-7-11(19-2)9-15(14)20-3/h4-9H,1-3H3,(H,17,18)/p-1
InChIKeyZLKBRRAHIAWGQY-UHFFFAOYSA-M
XLogP2.04
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2,4-dimethoxyphenyl)benzoate
CID 14078327
2,4-dimethoxybenzoate
CID 6947027
1-[2-(2,4-dimethoxyphenyl)phenyl]-2,4-dimethoxybenzene
CID 70200625
3-(2-fluoro-4-methoxyphenyl)-2-methylbenzoic acid
CID 53226480
N-[2-(2,4-dimethoxyphenyl)phenyl]acetamide
CID 86081519
disodium;2-methylbenzene-1,3-dicarboxylate
CID 70439180
methyl 5-methoxy-2-(2-methoxyphenyl)benzoate
CID 11844441
4-(2,4-dimethoxyphenyl)-3-methylbenzoic acid
CID 53227204
2-ethyl-4-methoxybenzoate
CID 23362607
CID 173192555
CID 173192555
2-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid
CID 53223736
1-[2-(2,4-dimethoxyphenyl)-5-fluorophenyl]ethanone
CID 175647044

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-2-methylbenzoate?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-2-methylbenzoate (CID 86307310) is 3-(2,4-dimethoxyphenyl)-2-methylbenzoate.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-2-methylbenzoate?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-2-methylbenzoate is COc1ccc(-c2cccc(C(=O)[O-])c2C)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-2-methylbenzoate?
The InChIKey is ZLKBRRAHIAWGQY-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H16O4/c1-10-12(5-4-6-13(10)16(17)18)14-8-7-11(19-2)9-15(14)20-3/h4-9H,1-3H3,(H,17,18)/p-1.
What are the key properties of 3-(2,4-dimethoxyphenyl)-2-methylbenzoate?
3-(2,4-dimethoxyphenyl)-2-methylbenzoate has a molecular weight of 271.29 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-2-methylbenzoate is sourced from PubChem (CID 86307310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).