3-[(4-methoxyphenyl)-(2-methyl-5-phenylfuran-3-yl)methyl]pentane-2,4-dione

C24H24O4 — CID 101475820

IUPAC3-[(4-methoxyphenyl)-(2-methyl-5-phenylfuran-3-yl)methyl]pentane-2,4-dione
SMILESCOc1ccc(C(c2cc(-c3ccccc3)oc2C)C(C(C)=O)C(C)=O)cc1
InChIInChI=1S/C24H24O4/c1-15(25)23(16(2)26)24(19-10-12-20(27-4)13-11-19)21-14-22(28-17(21)3)18-8-6-5-7-9-18/h5-14,23-24H,1-4H3
InChIKeyIZEDXJNEXSYRGH-UHFFFAOYSA-N
MW376.45 g/mol
LogP5.19
Rot. Bonds7

About 3-[(4-methoxyphenyl)-(2-methyl-5-phenylfuran-3-yl)methyl]pentane-2,4-dione

3-[(4-methoxyphenyl)-(2-methyl-5-phenylfuran-3-yl)methyl]pentane-2,4-dione (PubChem CID 101475820) has the molecular formula C24H24O4 and a molecular weight of 376.45 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)-(2-methyl-5-phenylfuran-3-yl)methyl]pentane-2,4-dione.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)-(2-methyl-5-phenylfuran-3-yl)methyl]pentane-2,4-dione
PubChem CID101475820
Molecular FormulaC24H24O4
Molecular Weight376.45 g/mol
Exact Mass376.17
IUPAC Name3-[(4-methoxyphenyl)-(2-methyl-5-phenylfuran-3-yl)methyl]pentane-2,4-dione
SMILESCOc1ccc(C(c2cc(-c3ccccc3)oc2C)C(C(C)=O)C(C)=O)cc1
InChIInChI=1S/C24H24O4/c1-15(25)23(16(2)26)24(19-10-12-20(27-4)13-11-19)21-14-22(28-17(21)3)18-8-6-5-7-9-18/h5-14,23-24H,1-4H3
InChIKeyIZEDXJNEXSYRGH-UHFFFAOYSA-N
XLogP5.19
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.45
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-[(3-methoxyphenyl)-phenylmethyl]pentane-2,4-dione
CID 132516605
4-[cyclohexyl-[5-(4-methoxyphenyl)-2-methylfuran-3-yl]methoxy]benzoic acid
CID 68514292
4-[cyclohexyl-(2-methyl-5-phenylfuran-3-yl)methoxy]benzoic acid
CID 68514252
(2R)-2-[[5-(4-methoxyphenyl)-2-methylfuran-3-carbonyl]amino]-3-naphthalen-2-ylpropanoic acid
CID 46191374
(2-methyl-5-phenylfuran-3-yl) propanoate
CID 102515590
3-chloro-5-(4-methoxyphenyl)-2-methylfuran
CID 14592116
5-(4-methoxyphenyl)-2,3-diphenylfuran
CID 2733040
dimethyl 2-[(R)-(4-methoxyphenyl)-naphthalen-2-ylmethyl]propanedioate
CID 134846640
3-(6-methoxynaphthalen-2-yl)butan-2-one
CID 13292512
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 43843486
2-(4-methoxyphenyl)-5-phenyl-1-benzofuran
CID 66549379
1-[5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-7-yl]ethanone
CID 22221637

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)-(2-methyl-5-phenylfuran-3-yl)methyl]pentane-2,4-dione?
The IUPAC name of 3-[(4-methoxyphenyl)-(2-methyl-5-phenylfuran-3-yl)methyl]pentane-2,4-dione (CID 101475820) is 3-[(4-methoxyphenyl)-(2-methyl-5-phenylfuran-3-yl)methyl]pentane-2,4-dione.
What is the SMILES notation for 3-[(4-methoxyphenyl)-(2-methyl-5-phenylfuran-3-yl)methyl]pentane-2,4-dione?
The canonical SMILES for 3-[(4-methoxyphenyl)-(2-methyl-5-phenylfuran-3-yl)methyl]pentane-2,4-dione is COc1ccc(C(c2cc(-c3ccccc3)oc2C)C(C(C)=O)C(C)=O)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)-(2-methyl-5-phenylfuran-3-yl)methyl]pentane-2,4-dione?
The InChIKey is IZEDXJNEXSYRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O4/c1-15(25)23(16(2)26)24(19-10-12-20(27-4)13-11-19)21-14-22(28-17(21)3)18-8-6-5-7-9-18/h5-14,23-24H,1-4H3.
What are the key properties of 3-[(4-methoxyphenyl)-(2-methyl-5-phenylfuran-3-yl)methyl]pentane-2,4-dione?
3-[(4-methoxyphenyl)-(2-methyl-5-phenylfuran-3-yl)methyl]pentane-2,4-dione has a molecular weight of 376.45 g/mol, XLogP of 5.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)-(2-methyl-5-phenylfuran-3-yl)methyl]pentane-2,4-dione is sourced from PubChem (CID 101475820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).