6,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromene-3,4-diol

C13H18O5 — CID 13422120

IUPAC6,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromene-3,4-diol
SMILESCOc1cc2c(cc1OC)C(O)C(O)C(C)(C)O2
InChIInChI=1S/C13H18O5/c1-13(2)12(15)11(14)7-5-9(16-3)10(17-4)6-8(7)18-13/h5-6,11-12,14-15H,1-4H3
InChIKeyKDBPMZIJPQTMCF-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.27
Rot. Bonds2

About 6,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromene-3,4-diol

6,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromene-3,4-diol (PubChem CID 13422120) has the molecular formula C13H18O5 and a molecular weight of 254.28 g/mol. Its IUPAC name is 6,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromene-3,4-diol.

Molecular Properties

Compound Name6,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromene-3,4-diol
PubChem CID13422120
Molecular FormulaC13H18O5
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name6,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromene-3,4-diol
SMILESCOc1cc2c(cc1OC)C(O)C(O)C(C)(C)O2
InChIInChI=1S/C13H18O5/c1-13(2)12(15)11(14)7-5-9(16-3)10(17-4)6-8(7)18-13/h5-6,11-12,14-15H,1-4H3
InChIKeyKDBPMZIJPQTMCF-UHFFFAOYSA-N
XLogP1.27
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromene-3,4-diol?
The IUPAC name of 6,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromene-3,4-diol (CID 13422120) is 6,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromene-3,4-diol.
What is the SMILES notation for 6,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromene-3,4-diol?
The canonical SMILES for 6,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromene-3,4-diol is COc1cc2c(cc1OC)C(O)C(O)C(C)(C)O2.
What is the InChIKey of 6,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromene-3,4-diol?
The InChIKey is KDBPMZIJPQTMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O5/c1-13(2)12(15)11(14)7-5-9(16-3)10(17-4)6-8(7)18-13/h5-6,11-12,14-15H,1-4H3.
What are the key properties of 6,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromene-3,4-diol?
6,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromene-3,4-diol has a molecular weight of 254.28 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromene-3,4-diol is sourced from PubChem (CID 13422120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).