6,7-dimethoxy-2,2-dimethylchromene

C13H16O3 — CID 12565

IUPAC6,7-dimethoxy-2,2-dimethylchromene
SMILESCOc1cc2c(cc1OC)OC(C)(C)C=C2
InChIInChI=1S/C13H16O3/c1-13(2)6-5-9-7-11(14-3)12(15-4)8-10(9)16-13/h5-8H,1-4H3
InChIKeyPTIDGSWTMLSGAH-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.89
Rot. Bonds2

About 6,7-dimethoxy-2,2-dimethylchromene

6,7-dimethoxy-2,2-dimethylchromene (PubChem CID 12565) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 6,7-dimethoxy-2,2-dimethylchromene.

Molecular Properties

Compound Name6,7-dimethoxy-2,2-dimethylchromene
PubChem CID12565
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name6,7-dimethoxy-2,2-dimethylchromene
SMILESCOc1cc2c(cc1OC)OC(C)(C)C=C2
InChIInChI=1S/C13H16O3/c1-13(2)6-5-9-7-11(14-3)12(15-4)8-10(9)16-13/h5-8H,1-4H3
InChIKeyPTIDGSWTMLSGAH-UHFFFAOYSA-N
XLogP2.89
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2,2-dimethylchromene?
The IUPAC name of 6,7-dimethoxy-2,2-dimethylchromene (CID 12565) is 6,7-dimethoxy-2,2-dimethylchromene.
What is the SMILES notation for 6,7-dimethoxy-2,2-dimethylchromene?
The canonical SMILES for 6,7-dimethoxy-2,2-dimethylchromene is COc1cc2c(cc1OC)OC(C)(C)C=C2.
What is the InChIKey of 6,7-dimethoxy-2,2-dimethylchromene?
The InChIKey is PTIDGSWTMLSGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-13(2)6-5-9-7-11(14-3)12(15-4)8-10(9)16-13/h5-8H,1-4H3.
What are the key properties of 6,7-dimethoxy-2,2-dimethylchromene?
6,7-dimethoxy-2,2-dimethylchromene has a molecular weight of 220.27 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2,2-dimethylchromene is sourced from PubChem (CID 12565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).