(1R)-1-methoxy-7-methyl-3,4-dihydro-1H-isochromene

C11H14O2 — CID 125489280

IUPAC(1R)-1-methoxy-7-methyl-3,4-dihydro-1H-isochromene
SMILESCO[C@@H]1OCCc2ccc(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/t11-/m1/s1
InChIKeySNQLLQIJDMTIRS-LLVKDONJSA-N
MW178.23 g/mol
LogP2.21
Rot. Bonds1

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

(1R)-1-methoxy-7-methyl-3,4-dihydro-1H-isochromene (PubChem CID 125489280) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (1R)-1-methoxy-7-methyl-3,4-dihydro-1H-isochromene.

Molecular Properties

Compound Name(1R)-1-methoxy-7-methyl-3,4-dihydro-1H-isochromene
PubChem CID125489280
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(1R)-1-methoxy-7-methyl-3,4-dihydro-1H-isochromene
SMILESCO[C@@H]1OCCc2ccc(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/t11-/m1/s1
InChIKeySNQLLQIJDMTIRS-LLVKDONJSA-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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Related Compounds

1-methoxy-7-methyl-3,4-dihydro-1H-isochromene
CID 102410115
(1R)-6-bromo-1-methoxy-3,4-dihydro-1H-isochromene
CID 125495570
1-methoxy-3,4-dihydro-1H-isochromene-6-carbonitrile
CID 154193215
5-bromo-7-methyl-1,2,4,5-tetrahydro-3-benzoxepine
CID 62737114
(1R)-6-bromo-1-methoxy-1,3-dihydro-2-benzofuran
CID 86339095
5-methyl-2,3-dihydro-1-benzofuran
CID 12725190
6-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 50988168
(2S)-2-[(1S)-6-methyl-3,4-dihydro-1H-isochromen-1-yl]azetidine
CID 165068401
(2R)-2-[(1S)-6-methyl-3,4-dihydro-1H-isochromen-1-yl]azetidine;(2R)-2-[(1R)-6-methyl-3,4-dihydro-1H-isochromen-1-yl]azetidine;(2S)-2-[(1S)-6-methyl-3,4-dihydro-1H-isochromen-1-yl]azetidine;(2S)-2-[(1R)-6-methyl-3,4-dihydro-1H-isochromen-1-yl]azetidine
CID 165068397
1-[(2-fluoro-5-methylphenoxy)methyl]-3,4-dihydro-1H-isochromene
CID 64854914
(1R)-1,2,7-trimethyl-3,4-dihydro-1H-isoquinoline
CID 102162097
(1S)-N-(2-methoxyethyl)-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 97357930

Frequently Asked Questions

What is the IUPAC name of (1R)-1-methoxy-7-methyl-3,4-dihydro-1H-isochromene?
The IUPAC name of (1R)-1-methoxy-7-methyl-3,4-dihydro-1H-isochromene (CID 125489280) is (1R)-1-methoxy-7-methyl-3,4-dihydro-1H-isochromene.
What is the SMILES notation for (1R)-1-methoxy-7-methyl-3,4-dihydro-1H-isochromene?
The canonical SMILES for (1R)-1-methoxy-7-methyl-3,4-dihydro-1H-isochromene is CO[C@@H]1OCCc2ccc(C)cc21.
What is the InChIKey of (1R)-1-methoxy-7-methyl-3,4-dihydro-1H-isochromene?
The InChIKey is SNQLLQIJDMTIRS-LLVKDONJSA-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/t11-/m1/s1.
What are the key properties of (1R)-1-methoxy-7-methyl-3,4-dihydro-1H-isochromene?
(1R)-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 (1R)-1-methoxy-7-methyl-3,4-dihydro-1H-isochromene is sourced from PubChem (CID 125489280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).