1-methoxy-7-methyl-3,4-dihydro-1H-isochromene

C11H14O2 — CID 102410115

IUPAC1-methoxy-7-methyl-3,4-dihydro-1H-isochromene
SMILESCOC1OCCc2ccc(C)cc21
InChIInChI=1S/C11H14O2/c1-8-3-4-9-5-6-13-11(12-2)10(9)7-8/h3-4,7,11H,5-6H2,1-2H3
InChIKeySNQLLQIJDMTIRS-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.21
Rot. Bonds1

About 1-methoxy-7-methyl-3,4-dihydro-1H-isochromene

1-methoxy-7-methyl-3,4-dihydro-1H-isochromene (PubChem CID 102410115) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-methoxy-7-methyl-3,4-dihydro-1H-isochromene.

Molecular Properties

Compound Name1-methoxy-7-methyl-3,4-dihydro-1H-isochromene
PubChem CID102410115
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name1-methoxy-7-methyl-3,4-dihydro-1H-isochromene
SMILESCOC1OCCc2ccc(C)cc21
InChIInChI=1S/C11H14O2/c1-8-3-4-9-5-6-13-11(12-2)10(9)7-8/h3-4,7,11H,5-6H2,1-2H3
InChIKeySNQLLQIJDMTIRS-UHFFFAOYSA-N
XLogP2.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-7-methyl-3,4-dihydro-1H-isochromene?
The IUPAC name of 1-methoxy-7-methyl-3,4-dihydro-1H-isochromene (CID 102410115) is 1-methoxy-7-methyl-3,4-dihydro-1H-isochromene.
What is the SMILES notation for 1-methoxy-7-methyl-3,4-dihydro-1H-isochromene?
The canonical SMILES for 1-methoxy-7-methyl-3,4-dihydro-1H-isochromene is COC1OCCc2ccc(C)cc21.
What is the InChIKey of 1-methoxy-7-methyl-3,4-dihydro-1H-isochromene?
The InChIKey is SNQLLQIJDMTIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-8-3-4-9-5-6-13-11(12-2)10(9)7-8/h3-4,7,11H,5-6H2,1-2H3.
What are the key properties of 1-methoxy-7-methyl-3,4-dihydro-1H-isochromene?
1-methoxy-7-methyl-3,4-dihydro-1H-isochromene has a molecular weight of 178.23 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-7-methyl-3,4-dihydro-1H-isochromene is sourced from PubChem (CID 102410115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).