(1R,3S)-6,7-dimethoxy-3-methyl-1-phenyl-3,4-dihydro-1H-isochromene

C18H20O3 — CID 129405533

IUPAC(1R,3S)-6,7-dimethoxy-3-methyl-1-phenyl-3,4-dihydro-1H-isochromene
SMILESCOc1cc2c(cc1OC)[C@@H](c1ccccc1)O[C@@H](C)C2
InChIInChI=1S/C18H20O3/c1-12-9-14-10-16(19-2)17(20-3)11-15(14)18(21-12)13-7-5-4-6-8-13/h4-8,10-12,18H,9H2,1-3H3/t12-,18+/m0/s1
InChIKeyUNYFMPODVMTJKA-KPZWWZAWSA-N
MW284.36 g/mol
LogP3.75
Rot. Bonds3

About (1R,3S)-6,7-dimethoxy-3-methyl-1-phenyl-3,4-dihydro-1H-isochromene

(1R,3S)-6,7-dimethoxy-3-methyl-1-phenyl-3,4-dihydro-1H-isochromene (PubChem CID 129405533) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is (1R,3S)-6,7-dimethoxy-3-methyl-1-phenyl-3,4-dihydro-1H-isochromene.

Molecular Properties

Compound Name(1R,3S)-6,7-dimethoxy-3-methyl-1-phenyl-3,4-dihydro-1H-isochromene
PubChem CID129405533
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name(1R,3S)-6,7-dimethoxy-3-methyl-1-phenyl-3,4-dihydro-1H-isochromene
SMILESCOc1cc2c(cc1OC)[C@@H](c1ccccc1)O[C@@H](C)C2
InChIInChI=1S/C18H20O3/c1-12-9-14-10-16(19-2)17(20-3)11-15(14)18(21-12)13-7-5-4-6-8-13/h4-8,10-12,18H,9H2,1-3H3/t12-,18+/m0/s1
InChIKeyUNYFMPODVMTJKA-KPZWWZAWSA-N
XLogP3.75
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-7-methoxy-3-methyl-1-(4-nitrophenyl)-3,4-dihydro-1H-isochromene
CID 21249974
(2R,4S)-6,7-dimethoxy-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10446565
(2R,4R)-6,7-dimethoxy-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 15657175
(1R,3R)-3-ethyl-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 101228516
6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 123462493
(1S,2S,3R)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene
CID 3045276
2-(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)benzoic acid
CID 54125547
(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium
CID 6921357
4-[(1S)-6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl]-N,N-dimethylaniline
CID 129364828
4-(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)-N,N-dimethylaniline
CID 11551393
(4aS,10bS)-1-(cyclopropylmethyl)-8,9-dimethoxy-6-phenyl-2,3,4,4a,6,10b-hexahydroisochromeno[4,3-b]pyridine;hydrobromide
CID 70624713
6,7-dimethoxy-1,2-diphenyl-3,4-dihydro-1H-isoquinoline
CID 122227728

Frequently Asked Questions

What is the IUPAC name of (1R,3S)-6,7-dimethoxy-3-methyl-1-phenyl-3,4-dihydro-1H-isochromene?
The IUPAC name of (1R,3S)-6,7-dimethoxy-3-methyl-1-phenyl-3,4-dihydro-1H-isochromene (CID 129405533) is (1R,3S)-6,7-dimethoxy-3-methyl-1-phenyl-3,4-dihydro-1H-isochromene.
What is the SMILES notation for (1R,3S)-6,7-dimethoxy-3-methyl-1-phenyl-3,4-dihydro-1H-isochromene?
The canonical SMILES for (1R,3S)-6,7-dimethoxy-3-methyl-1-phenyl-3,4-dihydro-1H-isochromene is COc1cc2c(cc1OC)[C@@H](c1ccccc1)O[C@@H](C)C2.
What is the InChIKey of (1R,3S)-6,7-dimethoxy-3-methyl-1-phenyl-3,4-dihydro-1H-isochromene?
The InChIKey is UNYFMPODVMTJKA-KPZWWZAWSA-N. The full InChI is InChI=1S/C18H20O3/c1-12-9-14-10-16(19-2)17(20-3)11-15(14)18(21-12)13-7-5-4-6-8-13/h4-8,10-12,18H,9H2,1-3H3/t12-,18+/m0/s1.
What are the key properties of (1R,3S)-6,7-dimethoxy-3-methyl-1-phenyl-3,4-dihydro-1H-isochromene?
(1R,3S)-6,7-dimethoxy-3-methyl-1-phenyl-3,4-dihydro-1H-isochromene has a molecular weight of 284.36 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-6,7-dimethoxy-3-methyl-1-phenyl-3,4-dihydro-1H-isochromene is sourced from PubChem (CID 129405533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).