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

C23H18O6 — CID 46184664

IUPAC3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)furan-2,5-dione
SMILESCOc1cc(C2=C(c3ccc4ccccc4c3)C(=O)OC2=O)cc(OC)c1OC
InChIInChI=1S/C23H18O6/c1-26-17-11-16(12-18(27-2)21(17)28-3)20-19(22(24)29-23(20)25)15-9-8-13-6-4-5-7-14(13)10-15/h4-12H,1-3H3
InChIKeyNIOSEEOUNBVJGY-UHFFFAOYSA-N
MW390.39 g/mol
LogP3.86
Rot. Bonds5

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

3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)furan-2,5-dione (PubChem CID 46184664) has the molecular formula C23H18O6 and a molecular weight of 390.39 g/mol. Its IUPAC name is 3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)furan-2,5-dione.

Molecular Properties

Compound Name3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)furan-2,5-dione
PubChem CID46184664
Molecular FormulaC23H18O6
Molecular Weight390.39 g/mol
Exact Mass390.11
IUPAC Name3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)furan-2,5-dione
SMILESCOc1cc(C2=C(c3ccc4ccccc4c3)C(=O)OC2=O)cc(OC)c1OC
InChIInChI=1S/C23H18O6/c1-26-17-11-16(12-18(27-2)21(17)28-3)20-19(22(24)29-23(20)25)15-9-8-13-6-4-5-7-14(13)10-15/h4-12H,1-3H3
InChIKeyNIOSEEOUNBVJGY-UHFFFAOYSA-N
XLogP3.86
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'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)furan-2,5-dione?
The IUPAC name of 3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)furan-2,5-dione (CID 46184664) is 3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)furan-2,5-dione.
What is the SMILES notation for 3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)furan-2,5-dione?
The canonical SMILES for 3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)furan-2,5-dione is COc1cc(C2=C(c3ccc4ccccc4c3)C(=O)OC2=O)cc(OC)c1OC.
What is the InChIKey of 3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)furan-2,5-dione?
The InChIKey is NIOSEEOUNBVJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O6/c1-26-17-11-16(12-18(27-2)21(17)28-3)20-19(22(24)29-23(20)25)15-9-8-13-6-4-5-7-14(13)10-15/h4-12H,1-3H3.
What are the key properties of 3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)furan-2,5-dione?
3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)furan-2,5-dione has a molecular weight of 390.39 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)furan-2,5-dione is sourced from PubChem (CID 46184664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).