(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

C33H32O9 — CID 141492875

IUPAC(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
SMILESCOc1ccc([C@@H]2COc3cc(O)ccc3[C@H]2c2ccc(O)c([C@@H]3COc4cc(O)ccc4[C@H]3OC)c2)c(OC)c1O
InChIInChI=1S/C33H32O9/c1-38-27-11-9-20(33(40-3)31(27)37)24-15-41-28-13-18(34)5-7-21(28)30(24)17-4-10-26(36)23(12-17)25-16-42-29-14-19(35)6-8-22(29)32(25)39-2/h4-14,24-25,30,32,34-37H,15-16H2,1-3H3/t24-,25-,30+,32+/m0/s1
InChIKeyOEKYFFXOTMUDNC-YHQJRLAUSA-N
MW572.61 g/mol
LogP5.70
Rot. Bonds6

About (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

(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 (PubChem CID 141492875) has the molecular formula C33H32O9 and a molecular weight of 572.61 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID141492875
Molecular FormulaC33H32O9
Molecular Weight572.61 g/mol
Exact Mass572.20
IUPAC Name(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
SMILESCOc1ccc([C@@H]2COc3cc(O)ccc3[C@H]2c2ccc(O)c([C@@H]3COc4cc(O)ccc4[C@H]3OC)c2)c(OC)c1O
InChIInChI=1S/C33H32O9/c1-38-27-11-9-20(33(40-3)31(27)37)24-15-41-28-13-18(34)5-7-21(28)30(24)17-4-10-26(36)23(12-17)25-16-42-29-14-19(35)6-8-22(29)32(25)39-2/h4-14,24-25,30,32,34-37H,15-16H2,1-3H3/t24-,25-,30+,32+/m0/s1
InChIKeyOEKYFFXOTMUDNC-YHQJRLAUSA-N
XLogP5.70
TPSA127.07 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.61
LogP ≤ 55.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze (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 with MolForge

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Related Compounds

3-(2-hydroxy-3-methoxyphenyl)-4-methoxy-3,4-dihydro-2H-chromen-7-ol
CID 156700370
4-(3-fluoro-4-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 118296078
5,7-dihydroxy-6-[7-hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 14777422
3-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 11372768
(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
(4S)-3,4-bis(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 146292723
3-(3-hydroxyphenyl)-4-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 11405317
(3R,4R)-4-(4-hydroxy-2-methoxy-6-methylphenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 170044914
4-[4-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]phenol
CID 163756216
(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
4-(3-aminophenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 58035760

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1ccc([C@@H]2COc3cc(O)ccc3[C@H]2c2ccc(O)c([C@@H]3COc4cc(O)ccc4[C@H]3OC)c2)c(OC)c1O.
What is the InChIKey of (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?
The InChIKey is OEKYFFXOTMUDNC-YHQJRLAUSA-N. The full InChI is InChI=1S/C33H32O9/c1-38-27-11-9-20(33(40-3)31(27)37)24-15-41-28-13-18(34)5-7-21(28)30(24)17-4-10-26(36)23(12-17)25-16-42-29-14-19(35)6-8-22(29)32(25)39-2/h4-14,24-25,30,32,34-37H,15-16H2,1-3H3/t24-,25-,30+,32+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 572.61 g/mol, XLogP of 5.70, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 141492875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).