5,6,7-trimethoxy-3-(methoxymethyl)-1-(2,4,6-trimethoxyphenyl)-1H-isochromene

C23H28O8 — CID 102369610

IUPAC5,6,7-trimethoxy-3-(methoxymethyl)-1-(2,4,6-trimethoxyphenyl)-1H-isochromene
SMILESCOCC1=Cc2c(cc(OC)c(OC)c2OC)C(c2c(OC)cc(OC)cc2OC)O1
InChIInChI=1S/C23H28O8/c1-24-12-14-8-15-16(11-19(28-5)23(30-7)22(15)29-6)21(31-14)20-17(26-3)9-13(25-2)10-18(20)27-4/h8-11,21H,12H2,1-7H3
InChIKeyDIRYDVIKIVKTDD-UHFFFAOYSA-N
MW432.47 g/mol
LogP3.85
Rot. Bonds9

About 5,6,7-trimethoxy-3-(methoxymethyl)-1-(2,4,6-trimethoxyphenyl)-1H-isochromene

5,6,7-trimethoxy-3-(methoxymethyl)-1-(2,4,6-trimethoxyphenyl)-1H-isochromene (PubChem CID 102369610) has the molecular formula C23H28O8 and a molecular weight of 432.47 g/mol. Its IUPAC name is 5,6,7-trimethoxy-3-(methoxymethyl)-1-(2,4,6-trimethoxyphenyl)-1H-isochromene.

Molecular Properties

Compound Name5,6,7-trimethoxy-3-(methoxymethyl)-1-(2,4,6-trimethoxyphenyl)-1H-isochromene
PubChem CID102369610
Molecular FormulaC23H28O8
Molecular Weight432.47 g/mol
Exact Mass432.18
IUPAC Name5,6,7-trimethoxy-3-(methoxymethyl)-1-(2,4,6-trimethoxyphenyl)-1H-isochromene
SMILESCOCC1=Cc2c(cc(OC)c(OC)c2OC)C(c2c(OC)cc(OC)cc2OC)O1
InChIInChI=1S/C23H28O8/c1-24-12-14-8-15-16(11-19(28-5)23(30-7)22(15)29-6)21(31-14)20-17(26-3)9-13(25-2)10-18(20)27-4/h8-11,21H,12H2,1-7H3
InChIKeyDIRYDVIKIVKTDD-UHFFFAOYSA-N
XLogP3.85
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.47
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-(2,5-dimethoxyphenyl)-4,5,6-trimethoxy-3H-2-benzofuran-1-one
CID 13448509
3-(4-bromophenyl)-1-(2,4,6-trimethoxyphenyl)-1H-isochromene
CID 102369605
3-(3-bromo-2,5-dimethoxyphenyl)-4-methoxy-3H-2-benzofuran-1-one
CID 134937764
3-[2-(trifluoromethyl)phenyl]-1-(2,4,6-trimethoxyphenyl)-1H-isochromene
CID 102369607
1,5-dimethoxy-2-(methoxymethyl)-3-methylbenzene
CID 116932273
3-(2,5-dimethoxy-3-methylphenyl)-4-methoxy-3H-2-benzofuran-1-one
CID 134937765
5,7-dimethoxy-2H-phthalazin-1-one
CID 21138693
methyl 4-[(1S)-4,6-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-3,5-dimethoxybenzoate
CID 5324642
N-ethyl-4,6-dimethoxy-2,3-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 79726519
1-fluoro-2,3,5-trimethoxybenzene
CID 151392889
[2,4-dimethoxy-6-(methoxymethyl)phenyl]methanamine
CID 117301737
[2-(hydroxymethyl)-5-(2,4,6-trimethoxyphenyl)-1,3-dioxan-2-yl]methanol
CID 132605134

Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethoxy-3-(methoxymethyl)-1-(2,4,6-trimethoxyphenyl)-1H-isochromene?
The IUPAC name of 5,6,7-trimethoxy-3-(methoxymethyl)-1-(2,4,6-trimethoxyphenyl)-1H-isochromene (CID 102369610) is 5,6,7-trimethoxy-3-(methoxymethyl)-1-(2,4,6-trimethoxyphenyl)-1H-isochromene.
What is the SMILES notation for 5,6,7-trimethoxy-3-(methoxymethyl)-1-(2,4,6-trimethoxyphenyl)-1H-isochromene?
The canonical SMILES for 5,6,7-trimethoxy-3-(methoxymethyl)-1-(2,4,6-trimethoxyphenyl)-1H-isochromene is COCC1=Cc2c(cc(OC)c(OC)c2OC)C(c2c(OC)cc(OC)cc2OC)O1.
What is the InChIKey of 5,6,7-trimethoxy-3-(methoxymethyl)-1-(2,4,6-trimethoxyphenyl)-1H-isochromene?
The InChIKey is DIRYDVIKIVKTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O8/c1-24-12-14-8-15-16(11-19(28-5)23(30-7)22(15)29-6)21(31-14)20-17(26-3)9-13(25-2)10-18(20)27-4/h8-11,21H,12H2,1-7H3.
What are the key properties of 5,6,7-trimethoxy-3-(methoxymethyl)-1-(2,4,6-trimethoxyphenyl)-1H-isochromene?
5,6,7-trimethoxy-3-(methoxymethyl)-1-(2,4,6-trimethoxyphenyl)-1H-isochromene has a molecular weight of 432.47 g/mol, XLogP of 3.85, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethoxy-3-(methoxymethyl)-1-(2,4,6-trimethoxyphenyl)-1H-isochromene is sourced from PubChem (CID 102369610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).