(5E)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-pentylcyclopent-2-en-1-one

C19H24O2 — CID 8882672

IUPAC(5E)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-pentylcyclopent-2-en-1-one
SMILESCCCCCC1=CC/C(=C\c2cc(C)c(O)c(C)c2)C1=O
InChIInChI=1S/C19H24O2/c1-4-5-6-7-16-8-9-17(19(16)21)12-15-10-13(2)18(20)14(3)11-15/h8,10-12,20H,4-7,9H2,1-3H3/b17-12+
InChIKeyHYGIIZJAOQGENR-SFQUDFHCSA-N
MW284.40 g/mol
LogP4.87
Rot. Bonds5

About (5E)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-pentylcyclopent-2-en-1-one

(5E)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-pentylcyclopent-2-en-1-one (PubChem CID 8882672) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is (5E)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-pentylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(5E)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-pentylcyclopent-2-en-1-one
PubChem CID8882672
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name(5E)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-pentylcyclopent-2-en-1-one
SMILESCCCCCC1=CC/C(=C\c2cc(C)c(O)c(C)c2)C1=O
InChIInChI=1S/C19H24O2/c1-4-5-6-7-16-8-9-17(19(16)21)12-15-10-13(2)18(20)14(3)11-15/h8,10-12,20H,4-7,9H2,1-3H3/b17-12+
InChIKeyHYGIIZJAOQGENR-SFQUDFHCSA-N
XLogP4.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-(2-oxo-3-pentylcyclopent-3-en-1-ylidene)methyl]benzoate
CID 8882550
(5E)-5-[(2-nitrophenyl)methylidene]-2-pentylcyclopent-2-en-1-one
CID 8882546
(3E,5E)-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1-methylpiperidin-4-one
CID 11394793
2,6-dimethyl-4-pentylphenol
CID 22625507
4-hexatriacontyl-2,6-dimethylphenol
CID 71335537
2,6-dimethyl-4-octadecylphenol
CID 66619575
4-chloro-2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3H-inden-1-one
CID 76871372
4-[2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-2,6-dimethylphenol
CID 54449458
(2E)-2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-5,6-dimethoxy-3H-inden-1-one
CID 5469772
3-butyl-6-methyl-4-pentylbenzene-1,2-diol
CID 87875378
ethyl 4-(4-hydroxy-3,5-dimethylphenyl)but-3-enoate
CID 170796048
(4R)-4-hydroxy-2-pentylcyclopent-2-en-1-one
CID 13158022

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-pentylcyclopent-2-en-1-one?
The IUPAC name of (5E)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-pentylcyclopent-2-en-1-one (CID 8882672) is (5E)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-pentylcyclopent-2-en-1-one.
What is the SMILES notation for (5E)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-pentylcyclopent-2-en-1-one?
The canonical SMILES for (5E)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-pentylcyclopent-2-en-1-one is CCCCCC1=CC/C(=C\c2cc(C)c(O)c(C)c2)C1=O.
What is the InChIKey of (5E)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-pentylcyclopent-2-en-1-one?
The InChIKey is HYGIIZJAOQGENR-SFQUDFHCSA-N. The full InChI is InChI=1S/C19H24O2/c1-4-5-6-7-16-8-9-17(19(16)21)12-15-10-13(2)18(20)14(3)11-15/h8,10-12,20H,4-7,9H2,1-3H3/b17-12+.
What are the key properties of (5E)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-pentylcyclopent-2-en-1-one?
(5E)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-pentylcyclopent-2-en-1-one has a molecular weight of 284.40 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-pentylcyclopent-2-en-1-one is sourced from PubChem (CID 8882672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).