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

C23H20O5 — CID 10022395

IUPAC3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-2H-furan-5-one
SMILESCOc1cc(C2=C(c3ccc4ccccc4c3)COC2=O)cc(OC)c1OC
InChIInChI=1S/C23H20O5/c1-25-19-11-17(12-20(26-2)22(19)27-3)21-18(13-28-23(21)24)16-9-8-14-6-4-5-7-15(14)10-16/h4-12H,13H2,1-3H3
InChIKeyLDGKCQXGMWOFDM-UHFFFAOYSA-N
MW376.41 g/mol
LogP4.33
Rot. Bonds5

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

3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-2H-furan-5-one (PubChem CID 10022395) has the molecular formula C23H20O5 and a molecular weight of 376.41 g/mol. Its IUPAC name is 3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-2H-furan-5-one.

Molecular Properties

Compound Name3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-2H-furan-5-one
PubChem CID10022395
Molecular FormulaC23H20O5
Molecular Weight376.41 g/mol
Exact Mass376.13
IUPAC Name3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-2H-furan-5-one
SMILESCOc1cc(C2=C(c3ccc4ccccc4c3)COC2=O)cc(OC)c1OC
InChIInChI=1S/C23H20O5/c1-25-19-11-17(12-20(26-2)22(19)27-3)21-18(13-28-23(21)24)16-9-8-14-6-4-5-7-15(14)10-16/h4-12H,13H2,1-3H3
InChIKeyLDGKCQXGMWOFDM-UHFFFAOYSA-N
XLogP4.33
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-2H-furan-5-one?
The IUPAC name of 3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-2H-furan-5-one (CID 10022395) is 3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-2H-furan-5-one.
What is the SMILES notation for 3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-2H-furan-5-one?
The canonical SMILES for 3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-2H-furan-5-one is COc1cc(C2=C(c3ccc4ccccc4c3)COC2=O)cc(OC)c1OC.
What is the InChIKey of 3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-2H-furan-5-one?
The InChIKey is LDGKCQXGMWOFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O5/c1-25-19-11-17(12-20(26-2)22(19)27-3)21-18(13-28-23(21)24)16-9-8-14-6-4-5-7-15(14)10-16/h4-12H,13H2,1-3H3.
What are the key properties of 3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-2H-furan-5-one?
3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-2H-furan-5-one has a molecular weight of 376.41 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-2H-furan-5-one is sourced from PubChem (CID 10022395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).