5-methoxy-2-methoxycarbonyl-3-methylbenzoic acid

C11H12O5 — CID 14207577

IUPAC5-methoxy-2-methoxycarbonyl-3-methylbenzoic acid
SMILESCOC(=O)c1c(C)cc(OC)cc1C(=O)O
InChIInChI=1S/C11H12O5/c1-6-4-7(15-2)5-8(10(12)13)9(6)11(14)16-3/h4-5H,1-3H3,(H,12,13)
InChIKeyRLRPYPFZNBJMEB-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.49
Rot. Bonds3

About 5-methoxy-2-methoxycarbonyl-3-methylbenzoic acid

5-methoxy-2-methoxycarbonyl-3-methylbenzoic acid (PubChem CID 14207577) has the molecular formula C11H12O5 and a molecular weight of 224.21 g/mol. Its IUPAC name is 5-methoxy-2-methoxycarbonyl-3-methylbenzoic acid.

Molecular Properties

Compound Name5-methoxy-2-methoxycarbonyl-3-methylbenzoic acid
PubChem CID14207577
Molecular FormulaC11H12O5
Molecular Weight224.21 g/mol
Exact Mass224.07
IUPAC Name5-methoxy-2-methoxycarbonyl-3-methylbenzoic acid
SMILESCOC(=O)c1c(C)cc(OC)cc1C(=O)O
InChIInChI=1S/C11H12O5/c1-6-4-7(15-2)5-8(10(12)13)9(6)11(14)16-3/h4-5H,1-3H3,(H,12,13)
InChIKeyRLRPYPFZNBJMEB-UHFFFAOYSA-N
XLogP1.49
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-iodo-4-methoxy-6-methylbenzoate
CID 131351829
5-methoxy-3-methyl-2-sulfanylbenzoic acid
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2-bromo-5-methoxy-3-methylbenzoic acid
CID 15227362
methyl 2-(chloromethyl)-4-methoxy-6-methylbenzoate
CID 171022992
dimethyl 3,5-dimethylbenzene-1,2-dicarboxylate
CID 11499546
2-amino-5-methoxybenzene-1,3-dicarboxylic acid
CID 66762655
4-methoxy-2,6-dimethylbenzoyl chloride
CID 12624144
dimethyl 2-amino-5-methoxybenzene-1,3-dicarboxylate
CID 91737513
methyl 4-ethoxy-2,6-dimethylbenzoate
CID 82552476
2-butan-2-yl-4-methoxy-6-methylbenzoic acid
CID 129157723
2-methoxycarbonyl-3,6-dimethylbenzoic acid
CID 103845883
bis(2,4-dimethoxy-6-methylphenyl)methanone
CID 54389353

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methoxycarbonyl-3-methylbenzoic acid?
The IUPAC name of 5-methoxy-2-methoxycarbonyl-3-methylbenzoic acid (CID 14207577) is 5-methoxy-2-methoxycarbonyl-3-methylbenzoic acid.
What is the SMILES notation for 5-methoxy-2-methoxycarbonyl-3-methylbenzoic acid?
The canonical SMILES for 5-methoxy-2-methoxycarbonyl-3-methylbenzoic acid is COC(=O)c1c(C)cc(OC)cc1C(=O)O.
What is the InChIKey of 5-methoxy-2-methoxycarbonyl-3-methylbenzoic acid?
The InChIKey is RLRPYPFZNBJMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O5/c1-6-4-7(15-2)5-8(10(12)13)9(6)11(14)16-3/h4-5H,1-3H3,(H,12,13).
What are the key properties of 5-methoxy-2-methoxycarbonyl-3-methylbenzoic acid?
5-methoxy-2-methoxycarbonyl-3-methylbenzoic acid has a molecular weight of 224.21 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methoxycarbonyl-3-methylbenzoic acid is sourced from PubChem (CID 14207577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).