2,3-dimethoxy-5H-chromene

C11H12O3 — CID 91420829

IUPAC2,3-dimethoxy-5H-chromene
SMILESCOC1=C(OC)OC2=CC=CCC2=C1
InChIInChI=1S/C11H12O3/c1-12-10-7-8-5-3-4-6-9(8)14-11(10)13-2/h3-4,6-7H,5H2,1-2H3
InChIKeyITYLFLOYMUTJLS-UHFFFAOYSA-N
MW192.21 g/mol
LogP2.25
Rot. Bonds2

About 2,3-dimethoxy-5H-chromene

2,3-dimethoxy-5H-chromene (PubChem CID 91420829) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 2,3-dimethoxy-5H-chromene.

Molecular Properties

Compound Name2,3-dimethoxy-5H-chromene
PubChem CID91420829
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name2,3-dimethoxy-5H-chromene
SMILESCOC1=C(OC)OC2=CC=CCC2=C1
InChIInChI=1S/C11H12O3/c1-12-10-7-8-5-3-4-6-9(8)14-11(10)13-2/h3-4,6-7H,5H2,1-2H3
InChIKeyITYLFLOYMUTJLS-UHFFFAOYSA-N
XLogP2.25
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Lithium 1-(methoxymethoxy)-2-methylbenzene-6-ide
CID 57533349
Methylene 3,4-methylenedioxybenzene
CID 162393126
6-fluoro-8-methyl-7,8-dihydro-4H-1,3-benzodioxine
CID 89260523
2-(trifluoromethoxy)-5H-chromene
CID 90716503
8-Lithio-1-methoxynaphthalene
CID 13417963
7,7-dimethoxy-2,2-dimethyl-8H-chromene
CID 91566289
1-Methoxy-2,5-dihydropropenylbenzene
CID 129805432
4,5-Dihydropyrano[4,3-b]pyran
CID 129833209
(E)-methoxy-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanolate
CID 134844162
Lithium 1-(methoxymethoxy)-3-methylbenzene-2-ide
CID 135082882
Lithium, (1,4,8-trimethoxy-2-naphthalenyl)-
CID 10822991
Methylbenzene;methyl phenyl carbonate;tungsten(2+)
CID 18715998

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-5H-chromene?
The IUPAC name of 2,3-dimethoxy-5H-chromene (CID 91420829) is 2,3-dimethoxy-5H-chromene.
What is the SMILES notation for 2,3-dimethoxy-5H-chromene?
The canonical SMILES for 2,3-dimethoxy-5H-chromene is COC1=C(OC)OC2=CC=CCC2=C1.
What is the InChIKey of 2,3-dimethoxy-5H-chromene?
The InChIKey is ITYLFLOYMUTJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-12-10-7-8-5-3-4-6-9(8)14-11(10)13-2/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 2,3-dimethoxy-5H-chromene?
2,3-dimethoxy-5H-chromene has a molecular weight of 192.21 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-5H-chromene is sourced from PubChem (CID 91420829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).