3-(3,4-dimethoxyphenyl)-4-naphthalen-1-yl-2H-furan-5-one

C22H18O4 — CID 125282222

IUPAC3-(3,4-dimethoxyphenyl)-4-naphthalen-1-yl-2H-furan-5-one
SMILESCOc1ccc(C2=C(c3cccc4ccccc34)C(=O)OC2)cc1OC
InChIInChI=1S/C22H18O4/c1-24-19-11-10-15(12-20(19)25-2)18-13-26-22(23)21(18)17-9-5-7-14-6-3-4-8-16(14)17/h3-12H,13H2,1-2H3
InChIKeyRMDAJMBQTFHWRB-UHFFFAOYSA-N
MW346.38 g/mol
LogP4.32
Rot. Bonds4

About 3-(3,4-dimethoxyphenyl)-4-naphthalen-1-yl-2H-furan-5-one

3-(3,4-dimethoxyphenyl)-4-naphthalen-1-yl-2H-furan-5-one (PubChem CID 125282222) has the molecular formula C22H18O4 and a molecular weight of 346.38 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-4-naphthalen-1-yl-2H-furan-5-one.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-4-naphthalen-1-yl-2H-furan-5-one
PubChem CID125282222
Molecular FormulaC22H18O4
Molecular Weight346.38 g/mol
Exact Mass346.12
IUPAC Name3-(3,4-dimethoxyphenyl)-4-naphthalen-1-yl-2H-furan-5-one
SMILESCOc1ccc(C2=C(c3cccc4ccccc34)C(=O)OC2)cc1OC
InChIInChI=1S/C22H18O4/c1-24-19-11-10-15(12-20(19)25-2)18-13-26-22(23)21(18)17-9-5-7-14-6-3-4-8-16(14)17/h3-12H,13H2,1-2H3
InChIKeyRMDAJMBQTFHWRB-UHFFFAOYSA-N
XLogP4.32
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxy-3-nitrophenyl)-4-(3,4,5-trimethoxyphenyl)-2H-furan-5-one
CID 11850777
4-(3,5-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-furan-5-one
CID 142656705
3-(2-bromoethoxy)-4-(3,4-dimethoxyphenyl)-2H-furan-5-one
CID 141343674
2-naphthalen-1-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 2517988
4-(3,4-dimethoxyphenyl)-3-(2-methoxyanilino)-2H-furan-5-one
CID 139081940
2-(3,4-dimethoxyphenyl)benzo[f]chromen-3-one
CID 747847
3-azido-4-(3,4-dimethoxyphenyl)-2H-furan-5-one
CID 10848969
3-(3-chloro-4-methoxyphenyl)-4-[4-(quinolin-2-ylmethoxy)phenyl]-2H-furan-5-one
CID 58368006
2-(2,6-dimethoxyphenyl)-3-naphthalen-1-ylnaphthalene-1,4-dione
CID 102377956
5-naphthalen-1-yl-3H-2-benzofuran-1-one
CID 102047975
2-(3,4-dimethoxyphenyl)-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one
CID 1108514
3-(3,4-dimethoxyphenyl)-2-methoxybenzo[f]chromen-1-one
CID 73346146

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-4-naphthalen-1-yl-2H-furan-5-one?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-4-naphthalen-1-yl-2H-furan-5-one (CID 125282222) is 3-(3,4-dimethoxyphenyl)-4-naphthalen-1-yl-2H-furan-5-one.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-4-naphthalen-1-yl-2H-furan-5-one?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-4-naphthalen-1-yl-2H-furan-5-one is COc1ccc(C2=C(c3cccc4ccccc34)C(=O)OC2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-4-naphthalen-1-yl-2H-furan-5-one?
The InChIKey is RMDAJMBQTFHWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O4/c1-24-19-11-10-15(12-20(19)25-2)18-13-26-22(23)21(18)17-9-5-7-14-6-3-4-8-16(14)17/h3-12H,13H2,1-2H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-4-naphthalen-1-yl-2H-furan-5-one?
3-(3,4-dimethoxyphenyl)-4-naphthalen-1-yl-2H-furan-5-one has a molecular weight of 346.38 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-4-naphthalen-1-yl-2H-furan-5-one is sourced from PubChem (CID 125282222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).