5-hydroxy-3,5-bis(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]furan-2-one

C26H24O6 — CID 10410546

IUPAC5-hydroxy-3,5-bis(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]furan-2-one
SMILESCOc1ccc(CC2=C(c3ccc(OC)cc3)C(=O)OC2(O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H24O6/c1-29-20-10-4-17(5-11-20)16-23-24(18-6-12-21(30-2)13-7-18)25(27)32-26(23,28)19-8-14-22(31-3)15-9-19/h4-15,28H,16H2,1-3H3
InChIKeyJCPFQTABMZGRMJ-UHFFFAOYSA-N
MW432.47 g/mol
LogP4.11
Rot. Bonds7

About 5-hydroxy-3,5-bis(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]furan-2-one

5-hydroxy-3,5-bis(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]furan-2-one (PubChem CID 10410546) has the molecular formula C26H24O6 and a molecular weight of 432.47 g/mol. Its IUPAC name is 5-hydroxy-3,5-bis(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]furan-2-one.

Molecular Properties

Compound Name5-hydroxy-3,5-bis(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]furan-2-one
PubChem CID10410546
Molecular FormulaC26H24O6
Molecular Weight432.47 g/mol
Exact Mass432.16
IUPAC Name5-hydroxy-3,5-bis(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]furan-2-one
SMILESCOc1ccc(CC2=C(c3ccc(OC)cc3)C(=O)OC2(O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H24O6/c1-29-20-10-4-17(5-11-20)16-23-24(18-6-12-21(30-2)13-7-18)25(27)32-26(23,28)19-8-14-22(31-3)15-9-19/h4-15,28H,16H2,1-3H3
InChIKeyJCPFQTABMZGRMJ-UHFFFAOYSA-N
XLogP4.11
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.47
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3,5-bis(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]furan-2-one?
The IUPAC name of 5-hydroxy-3,5-bis(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]furan-2-one (CID 10410546) is 5-hydroxy-3,5-bis(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]furan-2-one.
What is the SMILES notation for 5-hydroxy-3,5-bis(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]furan-2-one?
The canonical SMILES for 5-hydroxy-3,5-bis(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]furan-2-one is COc1ccc(CC2=C(c3ccc(OC)cc3)C(=O)OC2(O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 5-hydroxy-3,5-bis(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]furan-2-one?
The InChIKey is JCPFQTABMZGRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O6/c1-29-20-10-4-17(5-11-20)16-23-24(18-6-12-21(30-2)13-7-18)25(27)32-26(23,28)19-8-14-22(31-3)15-9-19/h4-15,28H,16H2,1-3H3.
What are the key properties of 5-hydroxy-3,5-bis(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]furan-2-one?
5-hydroxy-3,5-bis(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]furan-2-one has a molecular weight of 432.47 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3,5-bis(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]furan-2-one is sourced from PubChem (CID 10410546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).