6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isochromene

C20H24O6 — CID 5306966

IUPAC6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isochromene
SMILESCOc1cc2c(cc1OC)C(c1cc(OC)c(OC)c(OC)c1)OCC2
InChIInChI=1S/C20H24O6/c1-21-15-8-12-6-7-26-19(14(12)11-16(15)22-2)13-9-17(23-3)20(25-5)18(10-13)24-4/h8-11,19H,6-7H2,1-5H3
InChIKeyYWGSMTPVPUXSJN-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.39
Rot. Bonds6

About 6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isochromene

6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isochromene (PubChem CID 5306966) has the molecular formula C20H24O6 and a molecular weight of 360.41 g/mol. Its IUPAC name is 6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isochromene.

Molecular Properties

Compound Name6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isochromene
PubChem CID5306966
Molecular FormulaC20H24O6
Molecular Weight360.41 g/mol
Exact Mass360.16
IUPAC Name6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isochromene
SMILESCOc1cc2c(cc1OC)C(c1cc(OC)c(OC)c(OC)c1)OCC2
InChIInChI=1S/C20H24O6/c1-21-15-8-12-6-7-26-19(14(12)11-16(15)22-2)13-9-17(23-3)20(25-5)18(10-13)24-4/h8-11,19H,6-7H2,1-5H3
InChIKeyYWGSMTPVPUXSJN-UHFFFAOYSA-N
XLogP3.39
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
3-[(1S)-6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl]-9-methylcarbazole
CID 7328419
N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)phenyl]-N-oxidohydroxylamine
CID 163172007
2-(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)benzoic acid
CID 54125547
(4aS,6S,10bS)-8,9-dimethoxy-6-(3,4,5-trimethoxyphenyl)-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene
CID 11943663
1-hexyl-6,7-dimethoxy-3,4-dihydro-1H-isochromene
CID 102074325
6,7-dimethoxy-2,2-dimethyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium chloride
CID 44628910
(3R,3aR,6S,6aR)-3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
CID 10049223
(3S,3aS,6R,6aR)-3-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
CID 163081076
ethyl 2-(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)acetate
CID 132528258
(1S,2R)-2-(3,4-dimethoxyphenyl)-6,7-dimethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62706576

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isochromene?
The IUPAC name of 6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isochromene (CID 5306966) is 6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isochromene.
What is the SMILES notation for 6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isochromene?
The canonical SMILES for 6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isochromene is COc1cc2c(cc1OC)C(c1cc(OC)c(OC)c(OC)c1)OCC2.
What is the InChIKey of 6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isochromene?
The InChIKey is YWGSMTPVPUXSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O6/c1-21-15-8-12-6-7-26-19(14(12)11-16(15)22-2)13-9-17(23-3)20(25-5)18(10-13)24-4/h8-11,19H,6-7H2,1-5H3.
What are the key properties of 6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isochromene?
6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isochromene has a molecular weight of 360.41 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isochromene is sourced from PubChem (CID 5306966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).