6,7-dimethoxy-3-phenyl-4-(3,4,5-trimethoxyphenyl)-2H-chromene

C26H26O6 — CID 162399745

IUPAC6,7-dimethoxy-3-phenyl-4-(3,4,5-trimethoxyphenyl)-2H-chromene
SMILESCOc1cc2c(cc1OC)C(c1cc(OC)c(OC)c(OC)c1)=C(c1ccccc1)CO2
InChIInChI=1S/C26H26O6/c1-27-21-13-18-20(14-22(21)28-2)32-15-19(16-9-7-6-8-10-16)25(18)17-11-23(29-3)26(31-5)24(12-17)30-4/h6-14H,15H2,1-5H3
InChIKeySGEPVTYENJQWTH-UHFFFAOYSA-N
MW434.49 g/mol
LogP5.08
Rot. Bonds7

About 6,7-dimethoxy-3-phenyl-4-(3,4,5-trimethoxyphenyl)-2H-chromene

6,7-dimethoxy-3-phenyl-4-(3,4,5-trimethoxyphenyl)-2H-chromene (PubChem CID 162399745) has the molecular formula C26H26O6 and a molecular weight of 434.49 g/mol. Its IUPAC name is 6,7-dimethoxy-3-phenyl-4-(3,4,5-trimethoxyphenyl)-2H-chromene.

Molecular Properties

Compound Name6,7-dimethoxy-3-phenyl-4-(3,4,5-trimethoxyphenyl)-2H-chromene
PubChem CID162399745
Molecular FormulaC26H26O6
Molecular Weight434.49 g/mol
Exact Mass434.17
IUPAC Name6,7-dimethoxy-3-phenyl-4-(3,4,5-trimethoxyphenyl)-2H-chromene
SMILESCOc1cc2c(cc1OC)C(c1cc(OC)c(OC)c(OC)c1)=C(c1ccccc1)CO2
InChIInChI=1S/C26H26O6/c1-27-21-13-18-20(14-22(21)28-2)32-15-19(16-9-7-6-8-10-16)25(18)17-11-23(29-3)26(31-5)24(12-17)30-4/h6-14H,15H2,1-5H3
InChIKeySGEPVTYENJQWTH-UHFFFAOYSA-N
XLogP5.08
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.49
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(3,5-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-furan-5-one
CID 142656705
3-phenyl-4-(3,4,5-trimethoxyphenyl)furan-2,5-dione
CID 46225317
4-(3,5-difluoro-4-hydroxyphenyl)-8-methyl-3-(3,4,5-trimethoxyphenyl)-2H-chromen-7-ol
CID 118296068
3,4-bis(3,4,5-trimethoxyphenyl)furan-2,5-dione
CID 122205259
3-(4-methoxy-3-nitrophenyl)-4-(3,4,5-trimethoxyphenyl)-2H-furan-5-one
CID 11850777
3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxyphenyl)-6-methyl-2H-chromen-7-ol
CID 122699413
1,2,3-trimethoxy-5-[2-phenyl-6-(3,4,5-trimethoxyphenyl)phenyl]benzene
CID 174734654
4-(7-methyl-3-phenyl-2H-chromen-4-yl)phenol
CID 159502162
3-(3,4-dimethoxyphenyl)-4-naphthalen-1-yl-2H-furan-5-one
CID 125282222
1,2,4-trimethoxy-5-phenylbenzene
CID 18788699
6-chloro-4-(4-methoxyphenyl)-8-methyl-3-phenyl-2H-chromene
CID 162399758
5,7,8-trimethoxy-3-phenylchromen-2-one
CID 134912099

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-phenyl-4-(3,4,5-trimethoxyphenyl)-2H-chromene?
The IUPAC name of 6,7-dimethoxy-3-phenyl-4-(3,4,5-trimethoxyphenyl)-2H-chromene (CID 162399745) is 6,7-dimethoxy-3-phenyl-4-(3,4,5-trimethoxyphenyl)-2H-chromene.
What is the SMILES notation for 6,7-dimethoxy-3-phenyl-4-(3,4,5-trimethoxyphenyl)-2H-chromene?
The canonical SMILES for 6,7-dimethoxy-3-phenyl-4-(3,4,5-trimethoxyphenyl)-2H-chromene is COc1cc2c(cc1OC)C(c1cc(OC)c(OC)c(OC)c1)=C(c1ccccc1)CO2.
What is the InChIKey of 6,7-dimethoxy-3-phenyl-4-(3,4,5-trimethoxyphenyl)-2H-chromene?
The InChIKey is SGEPVTYENJQWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O6/c1-27-21-13-18-20(14-22(21)28-2)32-15-19(16-9-7-6-8-10-16)25(18)17-11-23(29-3)26(31-5)24(12-17)30-4/h6-14H,15H2,1-5H3.
What are the key properties of 6,7-dimethoxy-3-phenyl-4-(3,4,5-trimethoxyphenyl)-2H-chromene?
6,7-dimethoxy-3-phenyl-4-(3,4,5-trimethoxyphenyl)-2H-chromene has a molecular weight of 434.49 g/mol, XLogP of 5.08, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-phenyl-4-(3,4,5-trimethoxyphenyl)-2H-chromene is sourced from PubChem (CID 162399745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).