(E)-4-hydroxy-3-naphthalen-1-ylpent-3-en-2-one

C15H14O2 — CID 15967864

IUPAC(E)-4-hydroxy-3-naphthalen-1-ylpent-3-en-2-one
SMILESCC(=O)/C(=C(\C)O)c1cccc2ccccc12
InChIInChI=1S/C15H14O2/c1-10(16)15(11(2)17)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,16H,1-2H3/b15-10-
InChIKeyPUQDLJNFBNYBOE-GDNBJRDFSA-N
MW226.27 g/mol
LogP3.72
Rot. Bonds2

About (E)-4-hydroxy-3-naphthalen-1-ylpent-3-en-2-one

(E)-4-hydroxy-3-naphthalen-1-ylpent-3-en-2-one (PubChem CID 15967864) has the molecular formula C15H14O2 and a molecular weight of 226.27 g/mol. Its IUPAC name is (E)-4-hydroxy-3-naphthalen-1-ylpent-3-en-2-one.

Molecular Properties

Compound Name(E)-4-hydroxy-3-naphthalen-1-ylpent-3-en-2-one
PubChem CID15967864
Molecular FormulaC15H14O2
Molecular Weight226.27 g/mol
Exact Mass226.10
IUPAC Name(E)-4-hydroxy-3-naphthalen-1-ylpent-3-en-2-one
SMILESCC(=O)/C(=C(\C)O)c1cccc2ccccc12
InChIInChI=1S/C15H14O2/c1-10(16)15(11(2)17)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,16H,1-2H3/b15-10-
InChIKeyPUQDLJNFBNYBOE-GDNBJRDFSA-N
XLogP3.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
methanolate;bis(naphthalene-1-carboxylic acid);titanium(2+)
CID 91869033
naphthalene-1-carboxylic acid;propanoic acid
CID 161134976
2-methylbenzene-1,3-dicarboxylic acid;1-naphthalen-1-ylethanone
CID 174493325
2-(naphthalene-1-carbonyl)-3-oxobutanoic acid
CID 53441615
1,3-dinaphthalen-1-ylpropane-1,2,3-trione
CID 67892351
1-naphthalen-1-ylethylidenezirconium(2+)
CID 158619381
naphthalene-1-carbonyl iodide
CID 87393513
2-iodo-1-naphthalen-1-ylbutane-1,3-dione
CID 165350066
CID 129133768
CID 129133768
azane;1-prop-1-en-2-ylnaphthalene
CID 122612227
sodium naphthalene-1-carbothioate
CID 134872711

Frequently Asked Questions

What is the IUPAC name of (E)-4-hydroxy-3-naphthalen-1-ylpent-3-en-2-one?
The IUPAC name of (E)-4-hydroxy-3-naphthalen-1-ylpent-3-en-2-one (CID 15967864) is (E)-4-hydroxy-3-naphthalen-1-ylpent-3-en-2-one.
What is the SMILES notation for (E)-4-hydroxy-3-naphthalen-1-ylpent-3-en-2-one?
The canonical SMILES for (E)-4-hydroxy-3-naphthalen-1-ylpent-3-en-2-one is CC(=O)/C(=C(\C)O)c1cccc2ccccc12.
What is the InChIKey of (E)-4-hydroxy-3-naphthalen-1-ylpent-3-en-2-one?
The InChIKey is PUQDLJNFBNYBOE-GDNBJRDFSA-N. The full InChI is InChI=1S/C15H14O2/c1-10(16)15(11(2)17)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,16H,1-2H3/b15-10-.
What are the key properties of (E)-4-hydroxy-3-naphthalen-1-ylpent-3-en-2-one?
(E)-4-hydroxy-3-naphthalen-1-ylpent-3-en-2-one has a molecular weight of 226.27 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-hydroxy-3-naphthalen-1-ylpent-3-en-2-one is sourced from PubChem (CID 15967864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).