5-hydroxy-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-3-phenylfuran-2-one

C25H22O5 — CID 10024044

IUPAC5-hydroxy-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-3-phenylfuran-2-one
SMILESCOc1ccc(CC2=C(c3ccccc3)C(=O)OC2(O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H22O5/c1-28-20-12-8-17(9-13-20)16-22-23(18-6-4-3-5-7-18)24(26)30-25(22,27)19-10-14-21(29-2)15-11-19/h3-15,27H,16H2,1-2H3
InChIKeyGCLJDQQEPIRTNF-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.10
Rot. Bonds6

About 5-hydroxy-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-3-phenylfuran-2-one

5-hydroxy-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-3-phenylfuran-2-one (PubChem CID 10024044) has the molecular formula C25H22O5 and a molecular weight of 402.45 g/mol. Its IUPAC name is 5-hydroxy-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-3-phenylfuran-2-one.

Molecular Properties

Compound Name5-hydroxy-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-3-phenylfuran-2-one
PubChem CID10024044
Molecular FormulaC25H22O5
Molecular Weight402.45 g/mol
Exact Mass402.15
IUPAC Name5-hydroxy-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-3-phenylfuran-2-one
SMILESCOc1ccc(CC2=C(c3ccccc3)C(=O)OC2(O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H22O5/c1-28-20-12-8-17(9-13-20)16-22-23(18-6-4-3-5-7-18)24(26)30-25(22,27)19-10-14-21(29-2)15-11-19/h3-15,27H,16H2,1-2H3
InChIKeyGCLJDQQEPIRTNF-UHFFFAOYSA-N
XLogP4.10
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Robustic Acid
CID 54677407
Anisyl phenylacetate
CID 7599
1,3-Bis(4-carboxyphenoxy)propane
CID 68610
p-Anisic anhydride
CID 69928
LY 223982
CID 6444688
PD-155080
CID 11742628
7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one
CID 5357627
7-Hydroxy-3-(4'-methoxyphenyl)coumarin
CID 5393174
4-(Dodecyloxy)benzoic acid
CID 75330
2-(4-Hydroxyphenyl)Ethyl 4-Methoxybenzoate
CID 14704104
1,1'-(1,6-Hexanediyl) bis(4-methoxybenzoate)
CID 4926787
Benzoic acid, 4-((1-oxodecyl)oxy)-
CID 3608562

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-3-phenylfuran-2-one?
The IUPAC name of 5-hydroxy-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-3-phenylfuran-2-one (CID 10024044) is 5-hydroxy-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-3-phenylfuran-2-one.
What is the SMILES notation for 5-hydroxy-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-3-phenylfuran-2-one?
The canonical SMILES for 5-hydroxy-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-3-phenylfuran-2-one is COc1ccc(CC2=C(c3ccccc3)C(=O)OC2(O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 5-hydroxy-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-3-phenylfuran-2-one?
The InChIKey is GCLJDQQEPIRTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O5/c1-28-20-12-8-17(9-13-20)16-22-23(18-6-4-3-5-7-18)24(26)30-25(22,27)19-10-14-21(29-2)15-11-19/h3-15,27H,16H2,1-2H3.
What are the key properties of 5-hydroxy-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-3-phenylfuran-2-one?
5-hydroxy-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-3-phenylfuran-2-one has a molecular weight of 402.45 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-3-phenylfuran-2-one is sourced from PubChem (CID 10024044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).