4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-propyl-2H-chromen-7-ol

C26H25FO6 — CID 122699469

IUPAC4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-propyl-2H-chromen-7-ol
SMILESCCCc1c(O)ccc2c1OCC(c1cc(OC)c(O)c(OC)c1)=C2c1ccc(O)c(F)c1
InChIInChI=1S/C26H25FO6/c1-4-5-16-20(28)9-7-17-24(14-6-8-21(29)19(27)10-14)18(13-33-26(16)17)15-11-22(31-2)25(30)23(12-15)32-3/h6-12,28-30H,4-5,13H2,1-3H3
InChIKeyIBAFAPSOMVRWMZ-UHFFFAOYSA-N
MW452.48 g/mol
LogP5.26
Rot. Bonds6

About 4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-propyl-2H-chromen-7-ol

4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-propyl-2H-chromen-7-ol (PubChem CID 122699469) has the molecular formula C26H25FO6 and a molecular weight of 452.48 g/mol. Its IUPAC name is 4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-propyl-2H-chromen-7-ol.

Molecular Properties

Compound Name4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-propyl-2H-chromen-7-ol
PubChem CID122699469
Molecular FormulaC26H25FO6
Molecular Weight452.48 g/mol
Exact Mass452.16
IUPAC Name4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-propyl-2H-chromen-7-ol
SMILESCCCc1c(O)ccc2c1OCC(c1cc(OC)c(O)c(OC)c1)=C2c1ccc(O)c(F)c1
InChIInChI=1S/C26H25FO6/c1-4-5-16-20(28)9-7-17-24(14-6-8-21(29)19(27)10-14)18(13-33-26(16)17)15-11-22(31-2)25(30)23(12-15)32-3/h6-12,28-30H,4-5,13H2,1-3H3
InChIKeyIBAFAPSOMVRWMZ-UHFFFAOYSA-N
XLogP5.26
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.48
LogP ≤ 55.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(3,5-difluoro-4-hydroxyphenyl)-8-methyl-3-(3,4,5-trimethoxyphenyl)-2H-chromen-7-ol
CID 118296068
3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxyphenyl)-6-methyl-2H-chromen-7-ol
CID 122699413
2-fluoro-4-(2-methoxyphenyl)phenol
CID 53219298
4-bromo-2-(3-fluoro-4-hydroxyphenyl)-7-methoxy-1,3-benzoxazol-5-ol
CID 135499837
2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenol
CID 53219462
4-(2,5-dimethoxyphenyl)-2-fluorophenol
CID 53219549
4-[3-(4-fluorophenyl)-7-methoxy-2H-chromen-4-yl]phenol
CID 86199579
3-methoxy-2-propylphenol
CID 10607156
8-propyl-6,12-dihydrochromeno[2,3-c]chromene-2,3,9-triol
CID 71495704
4-(4-fluoro-3-methylphenyl)-2-methoxyphenol
CID 53220783
2-methoxy-6-propylnaphthalene-1,4-diol
CID 152759210
2-fluoro-4-(3-fluoro-4-hydroxyphenyl)phenol
CID 520956

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-propyl-2H-chromen-7-ol?
The IUPAC name of 4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-propyl-2H-chromen-7-ol (CID 122699469) is 4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-propyl-2H-chromen-7-ol.
What is the SMILES notation for 4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-propyl-2H-chromen-7-ol?
The canonical SMILES for 4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-propyl-2H-chromen-7-ol is CCCc1c(O)ccc2c1OCC(c1cc(OC)c(O)c(OC)c1)=C2c1ccc(O)c(F)c1.
What is the InChIKey of 4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-propyl-2H-chromen-7-ol?
The InChIKey is IBAFAPSOMVRWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FO6/c1-4-5-16-20(28)9-7-17-24(14-6-8-21(29)19(27)10-14)18(13-33-26(16)17)15-11-22(31-2)25(30)23(12-15)32-3/h6-12,28-30H,4-5,13H2,1-3H3.
What are the key properties of 4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-propyl-2H-chromen-7-ol?
4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-propyl-2H-chromen-7-ol has a molecular weight of 452.48 g/mol, XLogP of 5.26, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-propyl-2H-chromen-7-ol is sourced from PubChem (CID 122699469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).