dimethyl 5-hydroxy-3,4-dihydro-2H-chromene-7,8-dicarboxylate

C13H14O6 — CID 10539657

IUPACdimethyl 5-hydroxy-3,4-dihydro-2H-chromene-7,8-dicarboxylate
SMILESCOC(=O)c1cc(O)c2c(c1C(=O)OC)OCCC2
InChIInChI=1S/C13H14O6/c1-17-12(15)8-6-9(14)7-4-3-5-19-11(7)10(8)13(16)18-2/h6,14H,3-5H2,1-2H3
InChIKeyANRSMTSFMYZRHV-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.29
Rot. Bonds2

About dimethyl 5-hydroxy-3,4-dihydro-2H-chromene-7,8-dicarboxylate

dimethyl 5-hydroxy-3,4-dihydro-2H-chromene-7,8-dicarboxylate (PubChem CID 10539657) has the molecular formula C13H14O6 and a molecular weight of 266.25 g/mol. Its IUPAC name is dimethyl 5-hydroxy-3,4-dihydro-2H-chromene-7,8-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-hydroxy-3,4-dihydro-2H-chromene-7,8-dicarboxylate
PubChem CID10539657
Molecular FormulaC13H14O6
Molecular Weight266.25 g/mol
Exact Mass266.08
IUPAC Namedimethyl 5-hydroxy-3,4-dihydro-2H-chromene-7,8-dicarboxylate
SMILESCOC(=O)c1cc(O)c2c(c1C(=O)OC)OCCC2
InChIInChI=1S/C13H14O6/c1-17-12(15)8-6-9(14)7-4-3-5-19-11(7)10(8)13(16)18-2/h6,14H,3-5H2,1-2H3
InChIKeyANRSMTSFMYZRHV-UHFFFAOYSA-N
XLogP1.29
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-bromo-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene-10-carboxylate
CID 116986453
methyl 1-bromo-4-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 71302068
methyl 6-acetamido-7-chloro-2,3,4,5-tetrahydro-1-benzoxepine-9-carboxylate
CID 19853900
methyl 7-chloro-4-methyl-2,3-dihydro-1-benzofuran-6-carboxylate
CID 170045127
methyl 4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-carboxylate
CID 116986374
methyl 2-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)acetate
CID 116986424
methyl 6-methyl-3,4-dihydro-2H-pyran-5-carboxylate
CID 14089449
methyl 5-bromo-4-chloro-2,3-dihydro-1-benzofuran-7-carboxylate
CID 135377329
methyl 3-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 12725569
methyl 11,16-dioxatricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8-pentaene-9-carboxylate
CID 102098677
5,8-dimethyl-3,4-dihydro-2H-chromen-6-ol
CID 5211612
6-methyl-3,4-dihydro-2H-chromene-5,8-diol
CID 168996294

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-hydroxy-3,4-dihydro-2H-chromene-7,8-dicarboxylate?
The IUPAC name of dimethyl 5-hydroxy-3,4-dihydro-2H-chromene-7,8-dicarboxylate (CID 10539657) is dimethyl 5-hydroxy-3,4-dihydro-2H-chromene-7,8-dicarboxylate.
What is the SMILES notation for dimethyl 5-hydroxy-3,4-dihydro-2H-chromene-7,8-dicarboxylate?
The canonical SMILES for dimethyl 5-hydroxy-3,4-dihydro-2H-chromene-7,8-dicarboxylate is COC(=O)c1cc(O)c2c(c1C(=O)OC)OCCC2.
What is the InChIKey of dimethyl 5-hydroxy-3,4-dihydro-2H-chromene-7,8-dicarboxylate?
The InChIKey is ANRSMTSFMYZRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O6/c1-17-12(15)8-6-9(14)7-4-3-5-19-11(7)10(8)13(16)18-2/h6,14H,3-5H2,1-2H3.
What are the key properties of dimethyl 5-hydroxy-3,4-dihydro-2H-chromene-7,8-dicarboxylate?
dimethyl 5-hydroxy-3,4-dihydro-2H-chromene-7,8-dicarboxylate has a molecular weight of 266.25 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-hydroxy-3,4-dihydro-2H-chromene-7,8-dicarboxylate is sourced from PubChem (CID 10539657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).