dimethyl 4-hydroxybenzene-1,3-dicarboxylate;ethane

C12H16O5 — CID 143860036

IUPACdimethyl 4-hydroxybenzene-1,3-dicarboxylate;ethane
SMILESCC.COC(=O)c1ccc(O)c(C(=O)OC)c1
InChIInChI=1S/C10H10O5.C2H6/c1-14-9(12)6-3-4-8(11)7(5-6)10(13)15-2;1-2/h3-5,11H,1-2H3;1-2H3
InChIKeyDBKKXGAGTAMCAD-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.99
Rot. Bonds2

About dimethyl 4-hydroxybenzene-1,3-dicarboxylate;ethane

dimethyl 4-hydroxybenzene-1,3-dicarboxylate;ethane (PubChem CID 143860036) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is dimethyl 4-hydroxybenzene-1,3-dicarboxylate;ethane.

Molecular Properties

Compound Namedimethyl 4-hydroxybenzene-1,3-dicarboxylate;ethane
PubChem CID143860036
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Namedimethyl 4-hydroxybenzene-1,3-dicarboxylate;ethane
SMILESCC.COC(=O)c1ccc(O)c(C(=O)OC)c1
InChIInChI=1S/C10H10O5.C2H6/c1-14-9(12)6-3-4-8(11)7(5-6)10(13)15-2;1-2/h3-5,11H,1-2H3;1-2H3
InChIKeyDBKKXGAGTAMCAD-UHFFFAOYSA-N
XLogP1.99
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;methyl 3-bromo-4-hydroxybenzoate
CID 143655068
[(2-hydroxy-5-methoxycarbonylphenyl)-phenylmethylidene]azanium
CID 169143867
dimethyl 2-methylbenzene-1,4-dicarboxylate;ethane
CID 143252882
ethane;4-methoxycarbonylphthalic acid
CID 143938031
dimethyl 4-acetylbenzene-1,3-dicarboxylate
CID 69333095
2,2-dimethylpropane;ethane;methyl 3-fluoro-4-hydroxybenzoate
CID 144796029
methyl 3-[(2,6-difluorophenyl)carbamoyl]-4-hydroxybenzoate
CID 78358043
methyl 4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]benzoate
CID 11565405
methyl 4-hydroxy-3-methylbenzoate;propane
CID 145380615
dimethyl 4-acetamidobenzene-1,3-dicarboxylate
CID 2802943
methyl 4-chloro-3-hydroxybenzoate
CID 11819787
methyl 2-hydroxy-5-[(4-methylbenzoyl)amino]benzoate
CID 838131

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-hydroxybenzene-1,3-dicarboxylate;ethane?
The IUPAC name of dimethyl 4-hydroxybenzene-1,3-dicarboxylate;ethane (CID 143860036) is dimethyl 4-hydroxybenzene-1,3-dicarboxylate;ethane.
What is the SMILES notation for dimethyl 4-hydroxybenzene-1,3-dicarboxylate;ethane?
The canonical SMILES for dimethyl 4-hydroxybenzene-1,3-dicarboxylate;ethane is CC.COC(=O)c1ccc(O)c(C(=O)OC)c1.
What is the InChIKey of dimethyl 4-hydroxybenzene-1,3-dicarboxylate;ethane?
The InChIKey is DBKKXGAGTAMCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O5.C2H6/c1-14-9(12)6-3-4-8(11)7(5-6)10(13)15-2;1-2/h3-5,11H,1-2H3;1-2H3.
What are the key properties of dimethyl 4-hydroxybenzene-1,3-dicarboxylate;ethane?
dimethyl 4-hydroxybenzene-1,3-dicarboxylate;ethane has a molecular weight of 240.25 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-hydroxybenzene-1,3-dicarboxylate;ethane is sourced from PubChem (CID 143860036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).