3,7-dimethoxy-2,2-dimethylchromene

C13H16O3 — CID 70516159

IUPAC3,7-dimethoxy-2,2-dimethylchromene
SMILESCOC1=Cc2ccc(OC)cc2OC1(C)C
InChIInChI=1S/C13H16O3/c1-13(2)12(15-4)7-9-5-6-10(14-3)8-11(9)16-13/h5-8H,1-4H3
InChIKeyUJNNPOHYEFGEIC-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.85
Rot. Bonds2

About 3,7-dimethoxy-2,2-dimethylchromene

3,7-dimethoxy-2,2-dimethylchromene (PubChem CID 70516159) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3,7-dimethoxy-2,2-dimethylchromene.

Molecular Properties

Compound Name3,7-dimethoxy-2,2-dimethylchromene
PubChem CID70516159
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name3,7-dimethoxy-2,2-dimethylchromene
SMILESCOC1=Cc2ccc(OC)cc2OC1(C)C
InChIInChI=1S/C13H16O3/c1-13(2)12(15-4)7-9-5-6-10(14-3)8-11(9)16-13/h5-8H,1-4H3
InChIKeyUJNNPOHYEFGEIC-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxyspiro[chromene-2,1'-cycloheptane]
CID 15081060
7-methoxy-3-(4-methoxyphenyl)-2H-chromene
CID 58678829
3-tert-butyl-8-methoxy-5,5-dimethylchromeno[4,3-c]pyridazine
CID 59774480
5-methoxy-1,3,2-benzodioxathiole
CID 123805360
3-(4-ethoxyphenyl)-7-methoxy-2H-chromene
CID 54751719
6-methoxy-1,2-dihydrocyclopenta[b]chromene
CID 86188658
(2S)-6-methoxy-2-methyl-2-prop-1-en-2-yl-3H-1-benzofuran
CID 16726534
2-(4-chlorophenyl)-7-methoxy-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 142774332
6-methoxy-3,3,4'-trimethylspiro[1-benzofuran-2,1'-cyclohexane]
CID 12036427
2-(3,4-dihydroxyphenyl)-3-methoxychromene-2,7-diol
CID 11779665
(7-methoxy-2H-chromen-3-yl) hydrogen carbonate
CID 70423170
ethyl 7-methoxy-2,2-dioxo-1,2λ6-benzoxathiine-3-carboxylate
CID 138966901

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethoxy-2,2-dimethylchromene?
The IUPAC name of 3,7-dimethoxy-2,2-dimethylchromene (CID 70516159) is 3,7-dimethoxy-2,2-dimethylchromene.
What is the SMILES notation for 3,7-dimethoxy-2,2-dimethylchromene?
The canonical SMILES for 3,7-dimethoxy-2,2-dimethylchromene is COC1=Cc2ccc(OC)cc2OC1(C)C.
What is the InChIKey of 3,7-dimethoxy-2,2-dimethylchromene?
The InChIKey is UJNNPOHYEFGEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-13(2)12(15-4)7-9-5-6-10(14-3)8-11(9)16-13/h5-8H,1-4H3.
What are the key properties of 3,7-dimethoxy-2,2-dimethylchromene?
3,7-dimethoxy-2,2-dimethylchromene has a molecular weight of 220.27 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethoxy-2,2-dimethylchromene is sourced from PubChem (CID 70516159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).