2-[4-(2,5-dichloronaphthalen-1-yl)phenyl]-3,4-dihydroxy-2H-furan-5-one

C20H12Cl2O4 — CID 54708213

IUPAC2-[4-(2,5-dichloronaphthalen-1-yl)phenyl]-3,4-dihydroxy-2H-furan-5-one
SMILESO=C1OC(c2ccc(-c3c(Cl)ccc4c(Cl)cccc34)cc2)C(O)=C1O
InChIInChI=1S/C20H12Cl2O4/c21-14-3-1-2-13-12(14)8-9-15(22)16(13)10-4-6-11(7-5-10)19-17(23)18(24)20(25)26-19/h1-9,19,23-24H
InChIKeyXNYPOUAQWQGHIR-UHFFFAOYSA-N
MW387.22 g/mol
LogP5.74
Rot. Bonds2

About 2-[4-(2,5-dichloronaphthalen-1-yl)phenyl]-3,4-dihydroxy-2H-furan-5-one

2-[4-(2,5-dichloronaphthalen-1-yl)phenyl]-3,4-dihydroxy-2H-furan-5-one (PubChem CID 54708213) has the molecular formula C20H12Cl2O4 and a molecular weight of 387.22 g/mol. Its IUPAC name is 2-[4-(2,5-dichloronaphthalen-1-yl)phenyl]-3,4-dihydroxy-2H-furan-5-one.

Molecular Properties

Compound Name2-[4-(2,5-dichloronaphthalen-1-yl)phenyl]-3,4-dihydroxy-2H-furan-5-one
PubChem CID54708213
Molecular FormulaC20H12Cl2O4
Molecular Weight387.22 g/mol
Exact Mass386.01
IUPAC Name2-[4-(2,5-dichloronaphthalen-1-yl)phenyl]-3,4-dihydroxy-2H-furan-5-one
SMILESO=C1OC(c2ccc(-c3c(Cl)ccc4c(Cl)cccc34)cc2)C(O)=C1O
InChIInChI=1S/C20H12Cl2O4/c21-14-3-1-2-13-12(14)8-9-15(22)16(13)10-4-6-11(7-5-10)19-17(23)18(24)20(25)26-19/h1-9,19,23-24H
InChIKeyXNYPOUAQWQGHIR-UHFFFAOYSA-N
XLogP5.74
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.22
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2,5-dichloronaphthalen-1-yl)phenyl]-3,4-dihydroxy-2H-furan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dichloronaphthalen-1-yl)phenyl]-3,4-dihydroxy-2H-furan-5-one?
The IUPAC name of 2-[4-(2,5-dichloronaphthalen-1-yl)phenyl]-3,4-dihydroxy-2H-furan-5-one (CID 54708213) is 2-[4-(2,5-dichloronaphthalen-1-yl)phenyl]-3,4-dihydroxy-2H-furan-5-one.
What is the SMILES notation for 2-[4-(2,5-dichloronaphthalen-1-yl)phenyl]-3,4-dihydroxy-2H-furan-5-one?
The canonical SMILES for 2-[4-(2,5-dichloronaphthalen-1-yl)phenyl]-3,4-dihydroxy-2H-furan-5-one is O=C1OC(c2ccc(-c3c(Cl)ccc4c(Cl)cccc34)cc2)C(O)=C1O.
What is the InChIKey of 2-[4-(2,5-dichloronaphthalen-1-yl)phenyl]-3,4-dihydroxy-2H-furan-5-one?
The InChIKey is XNYPOUAQWQGHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2O4/c21-14-3-1-2-13-12(14)8-9-15(22)16(13)10-4-6-11(7-5-10)19-17(23)18(24)20(25)26-19/h1-9,19,23-24H.
What are the key properties of 2-[4-(2,5-dichloronaphthalen-1-yl)phenyl]-3,4-dihydroxy-2H-furan-5-one?
2-[4-(2,5-dichloronaphthalen-1-yl)phenyl]-3,4-dihydroxy-2H-furan-5-one has a molecular weight of 387.22 g/mol, XLogP of 5.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dichloronaphthalen-1-yl)phenyl]-3,4-dihydroxy-2H-furan-5-one is sourced from PubChem (CID 54708213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).