methyl 3-methoxy-2-methylbenzoate

C10H12O3 — CID 12527049

IUPACmethyl 3-methoxy-2-methylbenzoate
SMILESCOC(=O)c1cccc(OC)c1C
InChIInChI=1S/C10H12O3/c1-7-8(10(11)13-3)5-4-6-9(7)12-2/h4-6H,1-3H3
InChIKeyVVQORCPXLODREB-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.79
Rot. Bonds2

About methyl 3-methoxy-2-methylbenzoate

methyl 3-methoxy-2-methylbenzoate (PubChem CID 12527049) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is methyl 3-methoxy-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-methoxy-2-methylbenzoate
PubChem CID12527049
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Namemethyl 3-methoxy-2-methylbenzoate
SMILESCOC(=O)c1cccc(OC)c1C
InChIInChI=1S/C10H12O3/c1-7-8(10(11)13-3)5-4-6-9(7)12-2/h4-6H,1-3H3
InChIKeyVVQORCPXLODREB-UHFFFAOYSA-N
XLogP1.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2-methylbenzenecarboperoxoic acid
CID 174349354
bis(3-methoxy-2-methylphenyl)methanone
CID 139698462
3-methoxy-2-methylbenzohydrazide
CID 45091273
ethane;methyl 2-methoxybenzoate
CID 178037044
methyl 2-chloro-3-methoxybenzoate
CID 10262208
methyl 2-(2,6-dimethoxybenzoyl)benzoate
CID 71397959
methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbenzoate
CID 11109738
2-chloro-1-(3-methoxy-2-methylphenyl)propan-1-one
CID 130910393
2-O-(2,6-dimethoxyphenyl) 1-O-methyl benzene-1,2-dicarboxylate
CID 6424506
CID 159896224
CID 159896224
methyl 2-(1-bromoethenyl)-3-methoxybenzoate
CID 101402168
dimethyl 6-oxocyclohepta-2,4,7-triene-1,2-dicarboxylate
CID 13416679

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-2-methylbenzoate?
The IUPAC name of methyl 3-methoxy-2-methylbenzoate (CID 12527049) is methyl 3-methoxy-2-methylbenzoate.
What is the SMILES notation for methyl 3-methoxy-2-methylbenzoate?
The canonical SMILES for methyl 3-methoxy-2-methylbenzoate is COC(=O)c1cccc(OC)c1C.
What is the InChIKey of methyl 3-methoxy-2-methylbenzoate?
The InChIKey is VVQORCPXLODREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-7-8(10(11)13-3)5-4-6-9(7)12-2/h4-6H,1-3H3.
What are the key properties of methyl 3-methoxy-2-methylbenzoate?
methyl 3-methoxy-2-methylbenzoate has a molecular weight of 180.20 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-2-methylbenzoate is sourced from PubChem (CID 12527049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).