6,7-dimethoxy-3-(4-methoxyphenyl)-1-methyl-1-phenylisochromene

C25H24O4 — CID 132765787

IUPAC6,7-dimethoxy-3-(4-methoxyphenyl)-1-methyl-1-phenylisochromene
SMILESCOc1ccc(C2=Cc3cc(OC)c(OC)cc3C(C)(c3ccccc3)O2)cc1
InChIInChI=1S/C25H24O4/c1-25(19-8-6-5-7-9-19)21-16-24(28-4)23(27-3)15-18(21)14-22(29-25)17-10-12-20(26-2)13-11-17/h5-16H,1-4H3
InChIKeyMARHVCCZMJJCFQ-UHFFFAOYSA-N
MW388.46 g/mol
LogP5.50
Rot. Bonds5

About 6,7-dimethoxy-3-(4-methoxyphenyl)-1-methyl-1-phenylisochromene

6,7-dimethoxy-3-(4-methoxyphenyl)-1-methyl-1-phenylisochromene (PubChem CID 132765787) has the molecular formula C25H24O4 and a molecular weight of 388.46 g/mol. Its IUPAC name is 6,7-dimethoxy-3-(4-methoxyphenyl)-1-methyl-1-phenylisochromene.

Molecular Properties

Compound Name6,7-dimethoxy-3-(4-methoxyphenyl)-1-methyl-1-phenylisochromene
PubChem CID132765787
Molecular FormulaC25H24O4
Molecular Weight388.46 g/mol
Exact Mass388.17
IUPAC Name6,7-dimethoxy-3-(4-methoxyphenyl)-1-methyl-1-phenylisochromene
SMILESCOc1ccc(C2=Cc3cc(OC)c(OC)cc3C(C)(c3ccccc3)O2)cc1
InChIInChI=1S/C25H24O4/c1-25(19-8-6-5-7-9-19)21-16-24(28-4)23(27-3)15-18(21)14-22(29-25)17-10-12-20(26-2)13-11-17/h5-16H,1-4H3
InChIKeyMARHVCCZMJJCFQ-UHFFFAOYSA-N
XLogP5.50
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.46
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-diethoxyphenyl)-6,7-dimethoxy-1-methyl-1-phenylisochromene
CID 132779363
3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-1-thiophen-2-ylisochromene
CID 15358081
6-(4-methoxyphenyl)-2-methyl-2-phenyl-1,3-dioxin-4-one
CID 2931438
1-ethyl-6,7-dimethoxy-1-methyl-3-(4-propoxyphenyl)isochromene
CID 132777790
3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-propylisochromene-1-carbonitrile
CID 132765956
6,7-dimethoxy-3-(4-methoxyphenyl)-2,1lambda6-benzoxathiine 1,1-dioxide
CID 3119766
4-[(4E)-4-[(4-methoxyphenyl)methylidene]-5,5-diphenylfuran-2-yl]benzonitrile
CID 102082418
1-methoxy-4-phenylbenzene cyanide
CID 159561637
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
1-[3-bromo-2-(4-methoxyphenyl)-3-phenylcyclopropen-1-yl]-4-methoxybenzene
CID 134870119
2-benzyl-4-(4-methoxyphenyl)-4-methyloxazetidin-3-one
CID 14787819
5-(4-methoxyphenyl)-3,3-dimethylfuran-2-one
CID 71442207

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-(4-methoxyphenyl)-1-methyl-1-phenylisochromene?
The IUPAC name of 6,7-dimethoxy-3-(4-methoxyphenyl)-1-methyl-1-phenylisochromene (CID 132765787) is 6,7-dimethoxy-3-(4-methoxyphenyl)-1-methyl-1-phenylisochromene.
What is the SMILES notation for 6,7-dimethoxy-3-(4-methoxyphenyl)-1-methyl-1-phenylisochromene?
The canonical SMILES for 6,7-dimethoxy-3-(4-methoxyphenyl)-1-methyl-1-phenylisochromene is COc1ccc(C2=Cc3cc(OC)c(OC)cc3C(C)(c3ccccc3)O2)cc1.
What is the InChIKey of 6,7-dimethoxy-3-(4-methoxyphenyl)-1-methyl-1-phenylisochromene?
The InChIKey is MARHVCCZMJJCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O4/c1-25(19-8-6-5-7-9-19)21-16-24(28-4)23(27-3)15-18(21)14-22(29-25)17-10-12-20(26-2)13-11-17/h5-16H,1-4H3.
What are the key properties of 6,7-dimethoxy-3-(4-methoxyphenyl)-1-methyl-1-phenylisochromene?
6,7-dimethoxy-3-(4-methoxyphenyl)-1-methyl-1-phenylisochromene has a molecular weight of 388.46 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-(4-methoxyphenyl)-1-methyl-1-phenylisochromene is sourced from PubChem (CID 132765787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).