dimethyl 2-(methoxymethyl)benzene-1,4-dicarboxylate

C12H14O5 — CID 11390757

IUPACdimethyl 2-(methoxymethyl)benzene-1,4-dicarboxylate
SMILESCOCc1cc(C(=O)OC)ccc1C(=O)OC
InChIInChI=1S/C12H14O5/c1-15-7-9-6-8(11(13)16-2)4-5-10(9)12(14)17-3/h4-6H,7H2,1-3H3
InChIKeyCTESKAPDRTWSEK-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.41
Rot. Bonds4

About dimethyl 2-(methoxymethyl)benzene-1,4-dicarboxylate

dimethyl 2-(methoxymethyl)benzene-1,4-dicarboxylate (PubChem CID 11390757) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is dimethyl 2-(methoxymethyl)benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-(methoxymethyl)benzene-1,4-dicarboxylate
PubChem CID11390757
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Namedimethyl 2-(methoxymethyl)benzene-1,4-dicarboxylate
SMILESCOCc1cc(C(=O)OC)ccc1C(=O)OC
InChIInChI=1S/C12H14O5/c1-15-7-9-6-8(11(13)16-2)4-5-10(9)12(14)17-3/h4-6H,7H2,1-3H3
InChIKeyCTESKAPDRTWSEK-UHFFFAOYSA-N
XLogP1.41
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-bromo-3-(methoxymethyl)benzoate
CID 58554220
dimethyl 2-propylbenzene-1,4-dicarboxylate
CID 161443646
methyl 4-fluoro-2-(methoxymethyl)benzoate
CID 21075354
methyl 3-(methoxymethyl)-4-[(1E)-1-methoxy-2-methylbuta-1,3-dienyl]benzoate
CID 90265444
dimethyl 2-(2-oxo-3-sulfanylpropyl)benzene-1,4-dicarboxylate
CID 58139250
dimethyl 2-prop-2-enylbenzene-1,4-dicarboxylate
CID 69498323
methyl 3-methoxy-4-(methoxymethyl)benzoate
CID 134128516
ethane;methyl 4-cyano-3-(methoxymethyl)benzoate
CID 144882044
dimethyl 2-methylbenzene-1,4-dicarboxylate;ethane
CID 143252882
3-(bromomethyl)-4-methoxycarbonylbenzoic acid
CID 141496614
dimethyl 4-acetylbenzene-1,3-dicarboxylate
CID 69333095
tert-butyl 2-[4-methoxycarbonyl-3-(methoxymethyl)benzoyl]pyrrole-1-carboxylate
CID 66635671

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(methoxymethyl)benzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2-(methoxymethyl)benzene-1,4-dicarboxylate (CID 11390757) is dimethyl 2-(methoxymethyl)benzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-(methoxymethyl)benzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2-(methoxymethyl)benzene-1,4-dicarboxylate is COCc1cc(C(=O)OC)ccc1C(=O)OC.
What is the InChIKey of dimethyl 2-(methoxymethyl)benzene-1,4-dicarboxylate?
The InChIKey is CTESKAPDRTWSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O5/c1-15-7-9-6-8(11(13)16-2)4-5-10(9)12(14)17-3/h4-6H,7H2,1-3H3.
What are the key properties of dimethyl 2-(methoxymethyl)benzene-1,4-dicarboxylate?
dimethyl 2-(methoxymethyl)benzene-1,4-dicarboxylate has a molecular weight of 238.24 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(methoxymethyl)benzene-1,4-dicarboxylate is sourced from PubChem (CID 11390757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).