4-(3-fluoro-4-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol

C24H23FO6 — CID 118296078

IUPAC4-(3-fluoro-4-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
SMILESCOc1cc(C2COc3cc(O)ccc3C2c2ccc(O)c(F)c2)cc(OC)c1OC
InChIInChI=1S/C24H23FO6/c1-28-21-9-14(10-22(29-2)24(21)30-3)17-12-31-20-11-15(26)5-6-16(20)23(17)13-4-7-19(27)18(25)8-13/h4-11,17,23,26-27H,12H2,1-3H3
InChIKeyKODQJEXOSKAXBW-UHFFFAOYSA-N
MW426.44 g/mol
LogP4.57
Rot. Bonds5

About 4-(3-fluoro-4-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol

4-(3-fluoro-4-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol (PubChem CID 118296078) has the molecular formula C24H23FO6 and a molecular weight of 426.44 g/mol. Its IUPAC name is 4-(3-fluoro-4-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol.

Molecular Properties

Compound Name4-(3-fluoro-4-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
PubChem CID118296078
Molecular FormulaC24H23FO6
Molecular Weight426.44 g/mol
Exact Mass426.15
IUPAC Name4-(3-fluoro-4-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
SMILESCOc1cc(C2COc3cc(O)ccc3C2c2ccc(O)c(F)c2)cc(OC)c1OC
InChIInChI=1S/C24H23FO6/c1-28-21-9-14(10-22(29-2)24(21)30-3)17-12-31-20-11-15(26)5-6-16(20)23(17)13-4-7-19(27)18(25)8-13/h4-11,17,23,26-27H,12H2,1-3H3
InChIKeyKODQJEXOSKAXBW-UHFFFAOYSA-N
XLogP4.57
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 11372768
(3R,4R)-3-(3-hydroxy-2,4-dimethoxyphenyl)-4-[4-hydroxy-3-[(3R,4S)-7-hydroxy-4-methoxy-3,4-dihydro-2H-chromen-3-yl]phenyl]-3,4-dihydro-2H-chromen-7-ol
CID 141492875
(4S)-3,4-bis(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 146292723
(3R,4R)-4-(4-hydroxy-2-methoxy-6-methylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 170044914
5-[7-hydroxy-4-(4-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-3-yl]-3-methoxybenzene-1,2-diol
CID 130286345
(3R,4S)-3,4-bis(4-hydroxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-4-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;(3S,4R)-3-(4-hydroxyphenyl)-4-(4-methoxy-3-methylphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-3-(4-hydroxyphenyl)-4-(4-methoxy-3-methylphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol
CID 158304578
3-(3-hydroxyphenyl)-4-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 11405317
4-[4-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]phenol
CID 163756216
6-ethyl-4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;6-ethyl-3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxy-2-methylphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;6-ethyl-3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxy-3-methylphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;6-ethyl-3-(4-hydroxy-3,5-dimethylphenyl)-4-(4-hydroxy-3-methylphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol
CID 162201339
(3R,4S)-3,4-bis(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-4-(3,4-dimethylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-4-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;(3R,4S)-3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol
CID 158587612
(4R)-4-(4-methylperoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromen-7-ol
CID 166661948
(3R,4S)-4-[4-[4-(dimethoxymethyl)piperidin-1-yl]-3-fluorophenyl]-3-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 155172652

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
The IUPAC name of 4-(3-fluoro-4-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol (CID 118296078) is 4-(3-fluoro-4-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol.
What is the SMILES notation for 4-(3-fluoro-4-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
The canonical SMILES for 4-(3-fluoro-4-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol is COc1cc(C2COc3cc(O)ccc3C2c2ccc(O)c(F)c2)cc(OC)c1OC.
What is the InChIKey of 4-(3-fluoro-4-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
The InChIKey is KODQJEXOSKAXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FO6/c1-28-21-9-14(10-22(29-2)24(21)30-3)17-12-31-20-11-15(26)5-6-16(20)23(17)13-4-7-19(27)18(25)8-13/h4-11,17,23,26-27H,12H2,1-3H3.
What are the key properties of 4-(3-fluoro-4-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
4-(3-fluoro-4-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol has a molecular weight of 426.44 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol is sourced from PubChem (CID 118296078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).