dimethyl benzene-1,2-dicarboxylate;methane

C11H14O4 — CID 161056666

IUPACdimethyl benzene-1,2-dicarboxylate;methane
SMILESC.COC(=O)c1ccccc1C(=O)OC
InChIInChI=1S/C10H10O4.CH4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2;/h3-6H,1-2H3;1H4
InChIKeyYTTQFKCWPJRVEB-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.90
Rot. Bonds2

About dimethyl benzene-1,2-dicarboxylate;methane

dimethyl benzene-1,2-dicarboxylate;methane (PubChem CID 161056666) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is dimethyl benzene-1,2-dicarboxylate;methane.

Molecular Properties

Compound Namedimethyl benzene-1,2-dicarboxylate;methane
PubChem CID161056666
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Namedimethyl benzene-1,2-dicarboxylate;methane
SMILESC.COC(=O)c1ccccc1C(=O)OC
InChIInChI=1S/C10H10O4.CH4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2;/h3-6H,1-2H3;1H4
InChIKeyYTTQFKCWPJRVEB-UHFFFAOYSA-N
XLogP1.90
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze dimethyl benzene-1,2-dicarboxylate;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
ethane;methane;methyl 2-methylbenzoate
CID 168902289
lithium;hydride;methyl 2-hydroxybenzoate
CID 173284844
sodium;hydride;methyl 2-hydroxybenzoate
CID 173007756
methyl 2-phosphanylbenzoate
CID 156736008
methyl 2-(2,2-dibromo-1-methoxyethenyl)benzoate
CID 134891801
dimethyl benzene-1,2-dicarboxylate;propane-1,2,3-triol
CID 66751343
dimethyl benzene-1,2-dicarboxylate;propane-1,2-diol
CID 70524314
ethane;methyl 2-methoxybenzoate
CID 178037044
methyl 2-hydroxybenzoate;urea
CID 174888687
methyl 2-(tert-butylcarbamoyl)benzoate
CID 108785469
methyl 2-(2-aminobenzoyl)benzoate
CID 83381352

Frequently Asked Questions

What is the IUPAC name of dimethyl benzene-1,2-dicarboxylate;methane?
The IUPAC name of dimethyl benzene-1,2-dicarboxylate;methane (CID 161056666) is dimethyl benzene-1,2-dicarboxylate;methane.
What is the SMILES notation for dimethyl benzene-1,2-dicarboxylate;methane?
The canonical SMILES for dimethyl benzene-1,2-dicarboxylate;methane is C.COC(=O)c1ccccc1C(=O)OC.
What is the InChIKey of dimethyl benzene-1,2-dicarboxylate;methane?
The InChIKey is YTTQFKCWPJRVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4.CH4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2;/h3-6H,1-2H3;1H4.
What are the key properties of dimethyl benzene-1,2-dicarboxylate;methane?
dimethyl benzene-1,2-dicarboxylate;methane has a molecular weight of 210.23 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl benzene-1,2-dicarboxylate;methane is sourced from PubChem (CID 161056666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).