dimethyl 2,6-dihydroxybenzene-1,4-dicarboxylate

C10H10O6 — CID 11790883

IUPACdimethyl 2,6-dihydroxybenzene-1,4-dicarboxylate
SMILESCOC(=O)c1cc(O)c(C(=O)OC)c(O)c1
InChIInChI=1S/C10H10O6/c1-15-9(13)5-3-6(11)8(7(12)4-5)10(14)16-2/h3-4,11-12H,1-2H3
InChIKeyNRLVOQTWTLHNPF-UHFFFAOYSA-N
MW226.18 g/mol
LogP0.67
Rot. Bonds2

About dimethyl 2,6-dihydroxybenzene-1,4-dicarboxylate

dimethyl 2,6-dihydroxybenzene-1,4-dicarboxylate (PubChem CID 11790883) has the molecular formula C10H10O6 and a molecular weight of 226.18 g/mol. Its IUPAC name is dimethyl 2,6-dihydroxybenzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,6-dihydroxybenzene-1,4-dicarboxylate
PubChem CID11790883
Molecular FormulaC10H10O6
Molecular Weight226.18 g/mol
Exact Mass226.05
IUPAC Namedimethyl 2,6-dihydroxybenzene-1,4-dicarboxylate
SMILESCOC(=O)c1cc(O)c(C(=O)OC)c(O)c1
InChIInChI=1S/C10H10O6/c1-15-9(13)5-3-6(11)8(7(12)4-5)10(14)16-2/h3-4,11-12H,1-2H3
InChIKeyNRLVOQTWTLHNPF-UHFFFAOYSA-N
XLogP0.67
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-fluoro-4,5-dihydroxybenzoate
CID 89407915
dimethyl 2,6-dibromobenzene-1,4-dicarboxylate
CID 23245049
methyl 3,4-dihydroxy-5-(methylamino)benzoate
CID 130016117
methyl 3-fluoro-5-hydroxy-4-methylbenzoate
CID 55265589
methyl 3-chloro-5-hydroxy-4-methylbenzoate
CID 10241910
methyl 3-formyl-4,5-dihydroxybenzoate
CID 163300874
methyl 4-hydroxy-6,7,8-trimethoxynaphthalene-2-carboxylate
CID 18981335
methyl 2,6-dibromo-3,5-dihydroxybenzoate
CID 2748027
methyl 2-hydroxy-4,6-dimethylbenzoate;methyl 2,4,6-trimethylbenzoate
CID 161420499
methyl 4-chloro-3-hydroxybenzoate
CID 11819787
methyl 2-cyano-6-hydroxy-4-methylbenzoate
CID 130822835
methyl 3-ethoxy-5-hydroxy-4-methoxybenzoate
CID 177233535

Frequently Asked Questions

What is the IUPAC name of dimethyl 2,6-dihydroxybenzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2,6-dihydroxybenzene-1,4-dicarboxylate (CID 11790883) is dimethyl 2,6-dihydroxybenzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2,6-dihydroxybenzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2,6-dihydroxybenzene-1,4-dicarboxylate is COC(=O)c1cc(O)c(C(=O)OC)c(O)c1.
What is the InChIKey of dimethyl 2,6-dihydroxybenzene-1,4-dicarboxylate?
The InChIKey is NRLVOQTWTLHNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O6/c1-15-9(13)5-3-6(11)8(7(12)4-5)10(14)16-2/h3-4,11-12H,1-2H3.
What are the key properties of dimethyl 2,6-dihydroxybenzene-1,4-dicarboxylate?
dimethyl 2,6-dihydroxybenzene-1,4-dicarboxylate has a molecular weight of 226.18 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,6-dihydroxybenzene-1,4-dicarboxylate is sourced from PubChem (CID 11790883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).