4-(3,5-difluoro-4-hydroxyphenyl)-8-methyl-3-(3,4,5-trimethoxyphenyl)-2H-chromen-7-ol

C25H22F2O6 — CID 118296068

IUPAC4-(3,5-difluoro-4-hydroxyphenyl)-8-methyl-3-(3,4,5-trimethoxyphenyl)-2H-chromen-7-ol
SMILESCOc1cc(C2=C(c3cc(F)c(O)c(F)c3)c3ccc(O)c(C)c3OC2)cc(OC)c1OC
InChIInChI=1S/C25H22F2O6/c1-12-19(28)6-5-15-22(14-7-17(26)23(29)18(27)8-14)16(11-33-24(12)15)13-9-20(30-2)25(32-4)21(10-13)31-3/h5-10,28-29H,11H2,1-4H3
InChIKeyWLWMDYCVJJYQGN-UHFFFAOYSA-N
MW456.44 g/mol
LogP5.06
Rot. Bonds5

About 4-(3,5-difluoro-4-hydroxyphenyl)-8-methyl-3-(3,4,5-trimethoxyphenyl)-2H-chromen-7-ol

4-(3,5-difluoro-4-hydroxyphenyl)-8-methyl-3-(3,4,5-trimethoxyphenyl)-2H-chromen-7-ol (PubChem CID 118296068) has the molecular formula C25H22F2O6 and a molecular weight of 456.44 g/mol. Its IUPAC name is 4-(3,5-difluoro-4-hydroxyphenyl)-8-methyl-3-(3,4,5-trimethoxyphenyl)-2H-chromen-7-ol.

Molecular Properties

Compound Name4-(3,5-difluoro-4-hydroxyphenyl)-8-methyl-3-(3,4,5-trimethoxyphenyl)-2H-chromen-7-ol
PubChem CID118296068
Molecular FormulaC25H22F2O6
Molecular Weight456.44 g/mol
Exact Mass456.14
IUPAC Name4-(3,5-difluoro-4-hydroxyphenyl)-8-methyl-3-(3,4,5-trimethoxyphenyl)-2H-chromen-7-ol
SMILESCOc1cc(C2=C(c3cc(F)c(O)c(F)c3)c3ccc(O)c(C)c3OC2)cc(OC)c1OC
InChIInChI=1S/C25H22F2O6/c1-12-19(28)6-5-15-22(14-7-17(26)23(29)18(27)8-14)16(11-33-24(12)15)13-9-20(30-2)25(32-4)21(10-13)31-3/h5-10,28-29H,11H2,1-4H3
InChIKeyWLWMDYCVJJYQGN-UHFFFAOYSA-N
XLogP5.06
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.44
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(3,5-difluoro-4-hydroxyphenyl)-8-methyl-3-(3,4,5-trimethoxyphenyl)-2H-chromen-7-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-propyl-2H-chromen-7-ol
CID 122699469
6,7-dimethoxy-3-phenyl-4-(3,4,5-trimethoxyphenyl)-2H-chromene
CID 162399745
3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxyphenyl)-6-methyl-2H-chromen-7-ol
CID 122699413
4-(3,5-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-furan-5-one
CID 142656705
2-methoxy-6-methyl-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol
CID 72725280
3-(4-hydroxy-3-methoxyphenyl)-4-methyl-2H-chromen-6-ol
CID 121430342
(3E)-3-methoxyimino-7-methyl-1-benzofuran-6-ol
CID 136649683
6-bromo-2-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol
CID 146373863
2,5-dimethoxy-3,4-dimethylphenol
CID 84658444
4-(4-fluoro-3-methylphenyl)-2-methoxyphenol
CID 53220783
4-[3-(4-fluorophenyl)-7-methoxy-2H-chromen-4-yl]phenol
CID 86199579
3-methoxy-2-methyl-4-phenylphenol
CID 45097393

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluoro-4-hydroxyphenyl)-8-methyl-3-(3,4,5-trimethoxyphenyl)-2H-chromen-7-ol?
The IUPAC name of 4-(3,5-difluoro-4-hydroxyphenyl)-8-methyl-3-(3,4,5-trimethoxyphenyl)-2H-chromen-7-ol (CID 118296068) is 4-(3,5-difluoro-4-hydroxyphenyl)-8-methyl-3-(3,4,5-trimethoxyphenyl)-2H-chromen-7-ol.
What is the SMILES notation for 4-(3,5-difluoro-4-hydroxyphenyl)-8-methyl-3-(3,4,5-trimethoxyphenyl)-2H-chromen-7-ol?
The canonical SMILES for 4-(3,5-difluoro-4-hydroxyphenyl)-8-methyl-3-(3,4,5-trimethoxyphenyl)-2H-chromen-7-ol is COc1cc(C2=C(c3cc(F)c(O)c(F)c3)c3ccc(O)c(C)c3OC2)cc(OC)c1OC.
What is the InChIKey of 4-(3,5-difluoro-4-hydroxyphenyl)-8-methyl-3-(3,4,5-trimethoxyphenyl)-2H-chromen-7-ol?
The InChIKey is WLWMDYCVJJYQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2O6/c1-12-19(28)6-5-15-22(14-7-17(26)23(29)18(27)8-14)16(11-33-24(12)15)13-9-20(30-2)25(32-4)21(10-13)31-3/h5-10,28-29H,11H2,1-4H3.
What are the key properties of 4-(3,5-difluoro-4-hydroxyphenyl)-8-methyl-3-(3,4,5-trimethoxyphenyl)-2H-chromen-7-ol?
4-(3,5-difluoro-4-hydroxyphenyl)-8-methyl-3-(3,4,5-trimethoxyphenyl)-2H-chromen-7-ol has a molecular weight of 456.44 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluoro-4-hydroxyphenyl)-8-methyl-3-(3,4,5-trimethoxyphenyl)-2H-chromen-7-ol is sourced from PubChem (CID 118296068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).