1-O-methyl 2-O-(2-methylphenyl) benzene-1,2-dicarboxylate

C16H14O4 — CID 6424489

IUPAC1-O-methyl 2-O-(2-methylphenyl) benzene-1,2-dicarboxylate
SMILESCOC(=O)c1ccccc1C(=O)Oc1ccccc1C
InChIInChI=1S/C16H14O4/c1-11-7-3-6-10-14(11)20-16(18)13-9-5-4-8-12(13)15(17)19-2/h3-10H,1-2H3
InChIKeyYUDUDGJFVOQMLA-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.00
Rot. Bonds3

About 1-O-methyl 2-O-(2-methylphenyl) benzene-1,2-dicarboxylate

1-O-methyl 2-O-(2-methylphenyl) benzene-1,2-dicarboxylate (PubChem CID 6424489) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 1-O-methyl 2-O-(2-methylphenyl) benzene-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-methyl 2-O-(2-methylphenyl) benzene-1,2-dicarboxylate
PubChem CID6424489
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name1-O-methyl 2-O-(2-methylphenyl) benzene-1,2-dicarboxylate
SMILESCOC(=O)c1ccccc1C(=O)Oc1ccccc1C
InChIInChI=1S/C16H14O4/c1-11-7-3-6-10-14(11)20-16(18)13-9-5-4-8-12(13)15(17)19-2/h3-10H,1-2H3
InChIKeyYUDUDGJFVOQMLA-UHFFFAOYSA-N
XLogP3.00
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 1-O-methyl 2-O-(2-methylphenyl) benzene-1,2-dicarboxylate 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

(2-methylphenyl) 2-methoxycarbonyloxybenzoate
CID 69024261
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
(2-methylphenyl) 2-benzoyloxybenzoate
CID 21306244
(2-methylphenyl) 2,3-dihydroxybenzoate
CID 69026633
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
2-O-(2,6-dimethoxyphenyl) 1-O-methyl benzene-1,2-dicarboxylate
CID 6424506
ethane;methane;methyl 2-methylbenzoate
CID 168902289
1-O-cyclohexyl 2-O-(2-methylphenyl) benzene-1,2-dicarboxylate
CID 6423695
methyl 2-[(2-methylphenoxy)methyl]benzoate
CID 11043352
(2-methylphenyl) 2-aminofuran-3-carboxylate
CID 117213320
ethane;methyl 2-methoxybenzoate
CID 178037044
methyl 2-methylbenzoate;1,1,1-trifluoroethane
CID 156877365

Frequently Asked Questions

What is the IUPAC name of 1-O-methyl 2-O-(2-methylphenyl) benzene-1,2-dicarboxylate?
The IUPAC name of 1-O-methyl 2-O-(2-methylphenyl) benzene-1,2-dicarboxylate (CID 6424489) is 1-O-methyl 2-O-(2-methylphenyl) benzene-1,2-dicarboxylate.
What is the SMILES notation for 1-O-methyl 2-O-(2-methylphenyl) benzene-1,2-dicarboxylate?
The canonical SMILES for 1-O-methyl 2-O-(2-methylphenyl) benzene-1,2-dicarboxylate is COC(=O)c1ccccc1C(=O)Oc1ccccc1C.
What is the InChIKey of 1-O-methyl 2-O-(2-methylphenyl) benzene-1,2-dicarboxylate?
The InChIKey is YUDUDGJFVOQMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-11-7-3-6-10-14(11)20-16(18)13-9-5-4-8-12(13)15(17)19-2/h3-10H,1-2H3.
What are the key properties of 1-O-methyl 2-O-(2-methylphenyl) benzene-1,2-dicarboxylate?
1-O-methyl 2-O-(2-methylphenyl) benzene-1,2-dicarboxylate has a molecular weight of 270.28 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-methyl 2-O-(2-methylphenyl) benzene-1,2-dicarboxylate is sourced from PubChem (CID 6424489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).