(5Z)-3-(3,5-dichlorophenyl)-4-hydroxy-5-(naphthalen-1-ylmethylidene)furan-2-one

C21H12Cl2O3 — CID 54729893

IUPAC(5Z)-3-(3,5-dichlorophenyl)-4-hydroxy-5-(naphthalen-1-ylmethylidene)furan-2-one
SMILESO=C1O/C(=C\c2cccc3ccccc23)C(O)=C1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C21H12Cl2O3/c22-15-8-14(9-16(23)11-15)19-20(24)18(26-21(19)25)10-13-6-3-5-12-4-1-2-7-17(12)13/h1-11,24H/b18-10-
InChIKeyVZYPQHXUQVEWNI-ZDLGFXPLSA-N
MW383.23 g/mol
LogP6.01
Rot. Bonds2

About (5Z)-3-(3,5-dichlorophenyl)-4-hydroxy-5-(naphthalen-1-ylmethylidene)furan-2-one

(5Z)-3-(3,5-dichlorophenyl)-4-hydroxy-5-(naphthalen-1-ylmethylidene)furan-2-one (PubChem CID 54729893) has the molecular formula C21H12Cl2O3 and a molecular weight of 383.23 g/mol. Its IUPAC name is (5Z)-3-(3,5-dichlorophenyl)-4-hydroxy-5-(naphthalen-1-ylmethylidene)furan-2-one.

Molecular Properties

Compound Name(5Z)-3-(3,5-dichlorophenyl)-4-hydroxy-5-(naphthalen-1-ylmethylidene)furan-2-one
PubChem CID54729893
Molecular FormulaC21H12Cl2O3
Molecular Weight383.23 g/mol
Exact Mass382.02
IUPAC Name(5Z)-3-(3,5-dichlorophenyl)-4-hydroxy-5-(naphthalen-1-ylmethylidene)furan-2-one
SMILESO=C1O/C(=C\c2cccc3ccccc23)C(O)=C1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C21H12Cl2O3/c22-15-8-14(9-16(23)11-15)19-20(24)18(26-21(19)25)10-13-6-3-5-12-4-1-2-7-17(12)13/h1-11,24H/b18-10-
InChIKeyVZYPQHXUQVEWNI-ZDLGFXPLSA-N
XLogP6.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.23
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(3,5-dichlorophenyl)-4-hydroxy-5-(naphthalen-1-ylmethylidene)furan-2-one?
The IUPAC name of (5Z)-3-(3,5-dichlorophenyl)-4-hydroxy-5-(naphthalen-1-ylmethylidene)furan-2-one (CID 54729893) is (5Z)-3-(3,5-dichlorophenyl)-4-hydroxy-5-(naphthalen-1-ylmethylidene)furan-2-one.
What is the SMILES notation for (5Z)-3-(3,5-dichlorophenyl)-4-hydroxy-5-(naphthalen-1-ylmethylidene)furan-2-one?
The canonical SMILES for (5Z)-3-(3,5-dichlorophenyl)-4-hydroxy-5-(naphthalen-1-ylmethylidene)furan-2-one is O=C1O/C(=C\c2cccc3ccccc23)C(O)=C1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (5Z)-3-(3,5-dichlorophenyl)-4-hydroxy-5-(naphthalen-1-ylmethylidene)furan-2-one?
The InChIKey is VZYPQHXUQVEWNI-ZDLGFXPLSA-N. The full InChI is InChI=1S/C21H12Cl2O3/c22-15-8-14(9-16(23)11-15)19-20(24)18(26-21(19)25)10-13-6-3-5-12-4-1-2-7-17(12)13/h1-11,24H/b18-10-.
What are the key properties of (5Z)-3-(3,5-dichlorophenyl)-4-hydroxy-5-(naphthalen-1-ylmethylidene)furan-2-one?
(5Z)-3-(3,5-dichlorophenyl)-4-hydroxy-5-(naphthalen-1-ylmethylidene)furan-2-one has a molecular weight of 383.23 g/mol, XLogP of 6.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(3,5-dichlorophenyl)-4-hydroxy-5-(naphthalen-1-ylmethylidene)furan-2-one is sourced from PubChem (CID 54729893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).