(5Z)-5-(cyclohexylmethylidene)-4-hydroxy-3-naphthalen-2-ylfuran-2-one

C21H20O3 — CID 54728595

IUPAC(5Z)-5-(cyclohexylmethylidene)-4-hydroxy-3-naphthalen-2-ylfuran-2-one
SMILESO=C1O/C(=C\C2CCCCC2)C(O)=C1c1ccc2ccccc2c1
InChIInChI=1S/C21H20O3/c22-20-18(12-14-6-2-1-3-7-14)24-21(23)19(20)17-11-10-15-8-4-5-9-16(15)13-17/h4-5,8-14,22H,1-3,6-7H2/b18-12-
InChIKeyLAXPRXHGLVBEKL-PDGQHHTCSA-N
MW320.39 g/mol
LogP5.13
Rot. Bonds2

About (5Z)-5-(cyclohexylmethylidene)-4-hydroxy-3-naphthalen-2-ylfuran-2-one

(5Z)-5-(cyclohexylmethylidene)-4-hydroxy-3-naphthalen-2-ylfuran-2-one (PubChem CID 54728595) has the molecular formula C21H20O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is (5Z)-5-(cyclohexylmethylidene)-4-hydroxy-3-naphthalen-2-ylfuran-2-one.

Molecular Properties

Compound Name(5Z)-5-(cyclohexylmethylidene)-4-hydroxy-3-naphthalen-2-ylfuran-2-one
PubChem CID54728595
Molecular FormulaC21H20O3
Molecular Weight320.39 g/mol
Exact Mass320.14
IUPAC Name(5Z)-5-(cyclohexylmethylidene)-4-hydroxy-3-naphthalen-2-ylfuran-2-one
SMILESO=C1O/C(=C\C2CCCCC2)C(O)=C1c1ccc2ccccc2c1
InChIInChI=1S/C21H20O3/c22-20-18(12-14-6-2-1-3-7-14)24-21(23)19(20)17-11-10-15-8-4-5-9-16(15)13-17/h4-5,8-14,22H,1-3,6-7H2/b18-12-
InChIKeyLAXPRXHGLVBEKL-PDGQHHTCSA-N
XLogP5.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.39
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(cyclohexylmethylidene)-4-hydroxy-3-naphthalen-2-ylfuran-2-one?
The IUPAC name of (5Z)-5-(cyclohexylmethylidene)-4-hydroxy-3-naphthalen-2-ylfuran-2-one (CID 54728595) is (5Z)-5-(cyclohexylmethylidene)-4-hydroxy-3-naphthalen-2-ylfuran-2-one.
What is the SMILES notation for (5Z)-5-(cyclohexylmethylidene)-4-hydroxy-3-naphthalen-2-ylfuran-2-one?
The canonical SMILES for (5Z)-5-(cyclohexylmethylidene)-4-hydroxy-3-naphthalen-2-ylfuran-2-one is O=C1O/C(=C\C2CCCCC2)C(O)=C1c1ccc2ccccc2c1.
What is the InChIKey of (5Z)-5-(cyclohexylmethylidene)-4-hydroxy-3-naphthalen-2-ylfuran-2-one?
The InChIKey is LAXPRXHGLVBEKL-PDGQHHTCSA-N. The full InChI is InChI=1S/C21H20O3/c22-20-18(12-14-6-2-1-3-7-14)24-21(23)19(20)17-11-10-15-8-4-5-9-16(15)13-17/h4-5,8-14,22H,1-3,6-7H2/b18-12-.
What are the key properties of (5Z)-5-(cyclohexylmethylidene)-4-hydroxy-3-naphthalen-2-ylfuran-2-one?
(5Z)-5-(cyclohexylmethylidene)-4-hydroxy-3-naphthalen-2-ylfuran-2-one has a molecular weight of 320.39 g/mol, XLogP of 5.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(cyclohexylmethylidene)-4-hydroxy-3-naphthalen-2-ylfuran-2-one is sourced from PubChem (CID 54728595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).