7,8-dimethoxy-3,4,5,6-tetrahydro-2H-chromene

C11H16O3 — CID 70514596

IUPAC7,8-dimethoxy-3,4,5,6-tetrahydro-2H-chromene
SMILESCOC1=C(OC)C2=C(CCCO2)CC1
InChIInChI=1S/C11H16O3/c1-12-9-6-5-8-4-3-7-14-10(8)11(9)13-2/h3-7H2,1-2H3
InChIKeyFHDWBZWHIVNCLH-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.35
Rot. Bonds2

About 7,8-dimethoxy-3,4,5,6-tetrahydro-2H-chromene

7,8-dimethoxy-3,4,5,6-tetrahydro-2H-chromene (PubChem CID 70514596) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 7,8-dimethoxy-3,4,5,6-tetrahydro-2H-chromene.

Molecular Properties

Compound Name7,8-dimethoxy-3,4,5,6-tetrahydro-2H-chromene
PubChem CID70514596
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name7,8-dimethoxy-3,4,5,6-tetrahydro-2H-chromene
SMILESCOC1=C(OC)C2=C(CCCO2)CC1
InChIInChI=1S/C11H16O3/c1-12-9-6-5-8-4-3-7-14-10(8)11(9)13-2/h3-7H2,1-2H3
InChIKeyFHDWBZWHIVNCLH-UHFFFAOYSA-N
XLogP2.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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3-methyl-5,6,7,8-tetrahydro-1H-isochromene
CID 59288336
3-methyl-5,6,7,8-tetrahydro-2H-chromene
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8-propan-2-yl-3,4,5,6-tetrahydro-2H-chromene
CID 70537657
4-Propan-2-ylidene-2,3,5,6-tetrahydrochromene
CID 89174350
4-Ethoxy-5-methoxy-1-propylcyclohexa-1,3-diene
CID 90907248
7-methyl-3,4,5,6-tetrahydro-2H-chromene
CID 123307034
4,5-Dimethoxy-1-propylcyclohexa-1,3-diene
CID 142112268
2-Ethoxy-1-methoxy-4-propylcyclohexa-1,3-diene
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Ethane;6-methyl-2,3,7,8-tetrahydro-1,4-benzodioxine
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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-3,4,5,6-tetrahydro-2H-chromene?
The IUPAC name of 7,8-dimethoxy-3,4,5,6-tetrahydro-2H-chromene (CID 70514596) is 7,8-dimethoxy-3,4,5,6-tetrahydro-2H-chromene.
What is the SMILES notation for 7,8-dimethoxy-3,4,5,6-tetrahydro-2H-chromene?
The canonical SMILES for 7,8-dimethoxy-3,4,5,6-tetrahydro-2H-chromene is COC1=C(OC)C2=C(CCCO2)CC1.
What is the InChIKey of 7,8-dimethoxy-3,4,5,6-tetrahydro-2H-chromene?
The InChIKey is FHDWBZWHIVNCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-12-9-6-5-8-4-3-7-14-10(8)11(9)13-2/h3-7H2,1-2H3.
What are the key properties of 7,8-dimethoxy-3,4,5,6-tetrahydro-2H-chromene?
7,8-dimethoxy-3,4,5,6-tetrahydro-2H-chromene has a molecular weight of 196.25 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-3,4,5,6-tetrahydro-2H-chromene is sourced from PubChem (CID 70514596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).