7-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-5-[2-(4-hydroxyphenyl)ethenyl]-3,4-dihydrochromen-2-one

C24H20O6 — CID 75954573

IUPAC7-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-5-[2-(4-hydroxyphenyl)ethenyl]-3,4-dihydrochromen-2-one
SMILESCOc1cc(C2CC(=O)Oc3cc(O)cc(C=Cc4ccc(O)cc4)c32)ccc1O
InChIInChI=1S/C24H20O6/c1-29-21-11-15(6-9-20(21)27)19-13-23(28)30-22-12-18(26)10-16(24(19)22)5-2-14-3-7-17(25)8-4-14/h2-12,19,25-27H,13H2,1H3
InChIKeyZYHGYHJVGNKOFF-UHFFFAOYSA-N
MW404.42 g/mol
LogP4.42
Rot. Bonds4

About 7-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-5-[2-(4-hydroxyphenyl)ethenyl]-3,4-dihydrochromen-2-one

7-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-5-[2-(4-hydroxyphenyl)ethenyl]-3,4-dihydrochromen-2-one (PubChem CID 75954573) has the molecular formula C24H20O6 and a molecular weight of 404.42 g/mol. Its IUPAC name is 7-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-5-[2-(4-hydroxyphenyl)ethenyl]-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name7-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-5-[2-(4-hydroxyphenyl)ethenyl]-3,4-dihydrochromen-2-one
PubChem CID75954573
Molecular FormulaC24H20O6
Molecular Weight404.42 g/mol
Exact Mass404.13
IUPAC Name7-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-5-[2-(4-hydroxyphenyl)ethenyl]-3,4-dihydrochromen-2-one
SMILESCOc1cc(C2CC(=O)Oc3cc(O)cc(C=Cc4ccc(O)cc4)c32)ccc1O
InChIInChI=1S/C24H20O6/c1-29-21-11-15(6-9-20(21)27)19-13-23(28)30-22-12-18(26)10-16(24(19)22)5-2-14-3-7-17(25)8-4-14/h2-12,19,25-27H,13H2,1H3
InChIKeyZYHGYHJVGNKOFF-UHFFFAOYSA-N
XLogP4.42
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-dihydroxyphenyl)-5-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-7-hydroxy-3,4-dihydrochromen-2-one
CID 52937586
(4S)-5-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one
CID 121484594
4-(4-hydroxy-3-methoxyphenyl)-7-methyl-3,4-dihydropyrano[3,2-c]pyran-2,5-dione
CID 102564540
(4R)-4-(4-hydroxy-3-methoxyphenyl)-7-methyl-3,4-dihydropyrano[3,2-c]pyran-2,5-dione
CID 99998666
5,7-dihydroxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 11460348
(4R)-4-(4-hydroxy-3-methoxyphenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 125428741
4-(4-hydroxy-3-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 101088863
4-(4-hydroxy-3-methoxyphenyl)-3,4-dihydrochromen-2-one;methane
CID 145124096
(4S)-5-hydroxy-7-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 71533318
7-hydroxy-4-(4-methoxyphenyl)-5-methyl-3,4-dihydrochromen-2-one
CID 102427491
(4R)-7-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-3,4-dihydrochromen-2-one
CID 166157644
4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyphenol
CID 10377070

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-5-[2-(4-hydroxyphenyl)ethenyl]-3,4-dihydrochromen-2-one?
The IUPAC name of 7-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-5-[2-(4-hydroxyphenyl)ethenyl]-3,4-dihydrochromen-2-one (CID 75954573) is 7-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-5-[2-(4-hydroxyphenyl)ethenyl]-3,4-dihydrochromen-2-one.
What is the SMILES notation for 7-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-5-[2-(4-hydroxyphenyl)ethenyl]-3,4-dihydrochromen-2-one?
The canonical SMILES for 7-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-5-[2-(4-hydroxyphenyl)ethenyl]-3,4-dihydrochromen-2-one is COc1cc(C2CC(=O)Oc3cc(O)cc(C=Cc4ccc(O)cc4)c32)ccc1O.
What is the InChIKey of 7-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-5-[2-(4-hydroxyphenyl)ethenyl]-3,4-dihydrochromen-2-one?
The InChIKey is ZYHGYHJVGNKOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O6/c1-29-21-11-15(6-9-20(21)27)19-13-23(28)30-22-12-18(26)10-16(24(19)22)5-2-14-3-7-17(25)8-4-14/h2-12,19,25-27H,13H2,1H3.
What are the key properties of 7-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-5-[2-(4-hydroxyphenyl)ethenyl]-3,4-dihydrochromen-2-one?
7-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-5-[2-(4-hydroxyphenyl)ethenyl]-3,4-dihydrochromen-2-one has a molecular weight of 404.42 g/mol, XLogP of 4.42, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-5-[2-(4-hydroxyphenyl)ethenyl]-3,4-dihydrochromen-2-one is sourced from PubChem (CID 75954573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).