3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxyphenyl)-6-methyl-2H-chromen-7-ol

C24H22O6 — CID 122699413

IUPAC3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxyphenyl)-6-methyl-2H-chromen-7-ol
SMILESCOc1cc(C2=C(c3ccc(O)cc3)c3cc(C)c(O)cc3OC2)cc(OC)c1O
InChIInChI=1S/C24H22O6/c1-13-8-17-20(11-19(13)26)30-12-18(23(17)14-4-6-16(25)7-5-14)15-9-21(28-2)24(27)22(10-15)29-3/h4-11,25-27H,12H2,1-3H3
InChIKeyVWQYHLGDOVBCOG-UHFFFAOYSA-N
MW406.43 g/mol
LogP4.48
Rot. Bonds4

About 3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxyphenyl)-6-methyl-2H-chromen-7-ol

3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxyphenyl)-6-methyl-2H-chromen-7-ol (PubChem CID 122699413) has the molecular formula C24H22O6 and a molecular weight of 406.43 g/mol. Its IUPAC name is 3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxyphenyl)-6-methyl-2H-chromen-7-ol.

Molecular Properties

Compound Name3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxyphenyl)-6-methyl-2H-chromen-7-ol
PubChem CID122699413
Molecular FormulaC24H22O6
Molecular Weight406.43 g/mol
Exact Mass406.14
IUPAC Name3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxyphenyl)-6-methyl-2H-chromen-7-ol
SMILESCOc1cc(C2=C(c3ccc(O)cc3)c3cc(C)c(O)cc3OC2)cc(OC)c1O
InChIInChI=1S/C24H22O6/c1-13-8-17-20(11-19(13)26)30-12-18(23(17)14-4-6-16(25)7-5-14)15-9-21(28-2)24(27)22(10-15)29-3/h4-11,25-27H,12H2,1-3H3
InChIKeyVWQYHLGDOVBCOG-UHFFFAOYSA-N
XLogP4.48
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 54.48
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-(4-fluorophenyl)-7-methoxy-2H-chromen-4-yl]phenol
CID 86199579
3-(4-hydroxy-3-methoxyphenyl)-4-methyl-2H-chromen-6-ol
CID 121430342
4-(7-methyl-3-phenyl-2H-chromen-4-yl)phenol
CID 159502162
5-[7-hydroxy-4-(4-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-3-yl]-3-methoxybenzene-1,2-diol
CID 130286345
4-(3,5-difluoro-4-hydroxyphenyl)-8-methyl-3-(3,4,5-trimethoxyphenyl)-2H-chromen-7-ol
CID 118296068
6,7-dimethoxy-3-phenyl-4-(3,4,5-trimethoxyphenyl)-2H-chromene
CID 162399745
4-(3-fluoro-4-hydroxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-8-propyl-2H-chromen-7-ol
CID 122699469
ethane;3-(3-methoxy-4-methylphenyl)-4-methyl-2H-chromen-6-ol;prop-1-ene
CID 145102650
3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2H-chromen-7-ol;4-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 158379038
4-(6-hydroxy-4-methyl-2H-chromen-3-yl)-2-methoxybenzonitrile
CID 121430335
4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dimethylfuran-2-yl]-2,6-dimethoxyphenol
CID 19049296
9-methoxy-6H-[1]benzofuro[3,2-c]chromene-3,8-diol
CID 101092239

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxyphenyl)-6-methyl-2H-chromen-7-ol?
The IUPAC name of 3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxyphenyl)-6-methyl-2H-chromen-7-ol (CID 122699413) is 3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxyphenyl)-6-methyl-2H-chromen-7-ol.
What is the SMILES notation for 3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxyphenyl)-6-methyl-2H-chromen-7-ol?
The canonical SMILES for 3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxyphenyl)-6-methyl-2H-chromen-7-ol is COc1cc(C2=C(c3ccc(O)cc3)c3cc(C)c(O)cc3OC2)cc(OC)c1O.
What is the InChIKey of 3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxyphenyl)-6-methyl-2H-chromen-7-ol?
The InChIKey is VWQYHLGDOVBCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O6/c1-13-8-17-20(11-19(13)26)30-12-18(23(17)14-4-6-16(25)7-5-14)15-9-21(28-2)24(27)22(10-15)29-3/h4-11,25-27H,12H2,1-3H3.
What are the key properties of 3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxyphenyl)-6-methyl-2H-chromen-7-ol?
3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxyphenyl)-6-methyl-2H-chromen-7-ol has a molecular weight of 406.43 g/mol, XLogP of 4.48, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxyphenyl)-6-methyl-2H-chromen-7-ol is sourced from PubChem (CID 122699413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).