(4R)-4-(2,3-difluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol

C24H22F2O6 — CID 130286294

IUPAC(4R)-4-(2,3-difluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol
SMILESCOc1cc(C2COc3c(ccc(O)c3C)[C@@H]2c2ccc(O)c(F)c2F)cc(OC)c1O
InChIInChI=1S/C24H22F2O6/c1-11-16(27)6-5-14-20(13-4-7-17(28)22(26)21(13)25)15(10-32-24(11)14)12-8-18(30-2)23(29)19(9-12)31-3/h4-9,15,20,27-29H,10H2,1-3H3/t15?,20-/m0/s1
InChIKeyLVRIJEAUQQAEKQ-MBABXSBOSA-N
MW444.43 g/mol
LogP4.72
Rot. Bonds4

About (4R)-4-(2,3-difluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol

(4R)-4-(2,3-difluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol (PubChem CID 130286294) has the molecular formula C24H22F2O6 and a molecular weight of 444.43 g/mol. Its IUPAC name is (4R)-4-(2,3-difluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol.

Molecular Properties

Compound Name(4R)-4-(2,3-difluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol
PubChem CID130286294
Molecular FormulaC24H22F2O6
Molecular Weight444.43 g/mol
Exact Mass444.14
IUPAC Name(4R)-4-(2,3-difluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol
SMILESCOc1cc(C2COc3c(ccc(O)c3C)[C@@H]2c2ccc(O)c(F)c2F)cc(OC)c1O
InChIInChI=1S/C24H22F2O6/c1-11-16(27)6-5-14-20(13-4-7-17(28)22(26)21(13)25)15(10-32-24(11)14)12-8-18(30-2)23(29)19(9-12)31-3/h4-9,15,20,27-29H,10H2,1-3H3/t15?,20-/m0/s1
InChIKeyLVRIJEAUQQAEKQ-MBABXSBOSA-N
XLogP4.72
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.43
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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)-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
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)-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
3-(3-hydroxy-4-methylphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;3-(3-hydroxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol;4-[7-methoxy-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-3-yl]benzene-1,2-diol;3-(3-methoxyphenyl)-4-(4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol
CID 158216632
4-(3-fluoro-4-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 118296078
(3S)-3-amino-7-methyl-2,3-dihydro-1-benzofuran-6-ol
CID 130738460
7-[6-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-3-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 162854280
[(3R,4S)-3-(4-acetyloxy-3-methoxyphenyl)-4-hydroxy-8-methyl-3,4-dihydro-2H-chromen-7-yl] acetate
CID 67266738
4-[(3aS,6aS)-6-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenol
CID 10669690
4-[(3S,6S)-6-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenol
CID 59871518
5-[(3S,3aR,6S,6aR)-3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-3-methoxybenzene-1,2-diol
CID 163028163

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2,3-difluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol?
The IUPAC name of (4R)-4-(2,3-difluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol (CID 130286294) is (4R)-4-(2,3-difluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol.
What is the SMILES notation for (4R)-4-(2,3-difluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol?
The canonical SMILES for (4R)-4-(2,3-difluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol is COc1cc(C2COc3c(ccc(O)c3C)[C@@H]2c2ccc(O)c(F)c2F)cc(OC)c1O.
What is the InChIKey of (4R)-4-(2,3-difluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol?
The InChIKey is LVRIJEAUQQAEKQ-MBABXSBOSA-N. The full InChI is InChI=1S/C24H22F2O6/c1-11-16(27)6-5-14-20(13-4-7-17(28)22(26)21(13)25)15(10-32-24(11)14)12-8-18(30-2)23(29)19(9-12)31-3/h4-9,15,20,27-29H,10H2,1-3H3/t15?,20-/m0/s1.
What are the key properties of (4R)-4-(2,3-difluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol?
(4R)-4-(2,3-difluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol has a molecular weight of 444.43 g/mol, XLogP of 4.72, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2,3-difluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol is sourced from PubChem (CID 130286294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).