3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-2H-furan-5-ol

C26H24O6 — CID 67758255

IUPAC3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-2H-furan-5-ol
SMILESCOc1ccc(CC2=C(c3ccc4c(c3)OCO4)COC2(O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H24O6/c1-28-20-8-3-17(4-9-20)13-23-22(18-5-12-24-25(14-18)31-16-30-24)15-32-26(23,27)19-6-10-21(29-2)11-7-19/h3-12,14,27H,13,15-16H2,1-2H3
InChIKeyQAIUCTXIHWLIMS-UHFFFAOYSA-N
MW432.47 g/mol
LogP4.30
Rot. Bonds6

About 3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-2H-furan-5-ol

3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-2H-furan-5-ol (PubChem CID 67758255) has the molecular formula C26H24O6 and a molecular weight of 432.47 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-2H-furan-5-ol.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-2H-furan-5-ol
PubChem CID67758255
Molecular FormulaC26H24O6
Molecular Weight432.47 g/mol
Exact Mass432.16
IUPAC Name3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-2H-furan-5-ol
SMILESCOc1ccc(CC2=C(c3ccc4c(c3)OCO4)COC2(O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H24O6/c1-28-20-8-3-17(4-9-20)13-23-22(18-5-12-24-25(14-18)31-16-30-24)15-32-26(23,27)19-6-10-21(29-2)11-7-19/h3-12,14,27H,13,15-16H2,1-2H3
InChIKeyQAIUCTXIHWLIMS-UHFFFAOYSA-N
XLogP4.30
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.47
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-2H-furan-5-ol with MolForge

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Related Compounds

4-[[4-(1,3-benzodioxol-5-yl)-2-hydroxy-2-(4-methoxyphenyl)-5-oxofuran-3-yl]methyl]benzoic acid
CID 19363006
3-(1,3-benzodioxol-5-yl)-5-hydroxy-5-(4-methoxyphenyl)-4-[(4-nitrophenyl)methyl]furan-2-one
CID 10623877
3-(1,3-benzodioxol-5-yl)-5-hydroxy-5-(4-methoxyphenyl)-4-(pyridin-3-ylmethyl)furan-2-one
CID 10526002
3-(1,3-benzodioxol-5-yl)-5-hydroxy-5-(4-methoxyphenyl)-4-[(2-phenoxyphenyl)methyl]furan-2-one
CID 15887464
3-(1,3-benzodioxol-5-yl)-4-[(3,4-dimethoxy-5-prop-2-ynoxyphenyl)methyl]-5-hydroxy-5-(4-methoxyphenyl)furan-2-one
CID 51003304
3-(1,3-benzodioxol-5-yl)-4-[(3,4-dimethoxyphenyl)methyl]-5-methoxy-5-(4-methoxyphenyl)furan-2-one
CID 70260051
5-hydroxy-3,5-bis(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]furan-2-one
CID 10410546
3-(1,3-benzodioxol-5-yl)-5-hydroxy-5-(4-methoxyphenyl)-4-[(4-methoxy-2-prop-2-enoxyphenyl)methyl]furan-2-one
CID 19363068
1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[4-ethyl-3-(4-methoxyphenyl)phenyl]ethanone
CID 123763829
3-(1,3-benzodioxol-5-yl)-5-hydroxy-5-(4-methoxyphenyl)-4-[[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methyl]furan-2-one
CID 10745668
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenyl)ethanamine
CID 2249781
2-(1,3-benzodioxol-5-yl)-1-(4-methoxyphenyl)-N-methylethanamine
CID 90665682

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-2H-furan-5-ol?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-2H-furan-5-ol (CID 67758255) is 3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-2H-furan-5-ol.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-2H-furan-5-ol?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-2H-furan-5-ol is COc1ccc(CC2=C(c3ccc4c(c3)OCO4)COC2(O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-2H-furan-5-ol?
The InChIKey is QAIUCTXIHWLIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O6/c1-28-20-8-3-17(4-9-20)13-23-22(18-5-12-24-25(14-18)31-16-30-24)15-32-26(23,27)19-6-10-21(29-2)11-7-19/h3-12,14,27H,13,15-16H2,1-2H3.
What are the key properties of 3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-2H-furan-5-ol?
3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-2H-furan-5-ol has a molecular weight of 432.47 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-2H-furan-5-ol is sourced from PubChem (CID 67758255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).