(2E)-2-pentylidene-5-phenylfuran-3-one

C15H16O2 — CID 177397277

IUPAC(2E)-2-pentylidene-5-phenylfuran-3-one
SMILESCCCC/C=C1/OC(c2ccccc2)=CC1=O
InChIInChI=1S/C15H16O2/c1-2-3-5-10-14-13(16)11-15(17-14)12-8-6-4-7-9-12/h4,6-11H,2-3,5H2,1H3/b14-10+
InChIKeyPYVYUOMYSWCKHL-GXDHUFHOSA-N
MW228.29 g/mol
LogP3.70
Rot. Bonds4

About (2E)-2-pentylidene-5-phenylfuran-3-one

(2E)-2-pentylidene-5-phenylfuran-3-one (PubChem CID 177397277) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is (2E)-2-pentylidene-5-phenylfuran-3-one.

Molecular Properties

Compound Name(2E)-2-pentylidene-5-phenylfuran-3-one
PubChem CID177397277
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name(2E)-2-pentylidene-5-phenylfuran-3-one
SMILESCCCC/C=C1/OC(c2ccccc2)=CC1=O
InChIInChI=1S/C15H16O2/c1-2-3-5-10-14-13(16)11-15(17-14)12-8-6-4-7-9-12/h4,6-11H,2-3,5H2,1H3/b14-10+
InChIKeyPYVYUOMYSWCKHL-GXDHUFHOSA-N
XLogP3.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.70
H-Bond Donors ≤ 50
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'}

Analyze (2E)-2-pentylidene-5-phenylfuran-3-one with MolForge

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

Launch Full Analysis

Related Compounds

(2E)-2-(3-oxo-5-phenylfuran-2-ylidene)acetonitrile
CID 6433051
(3Z)-3-[(4-butoxyphenyl)methylidene]-5-phenylfuran-2-one
CID 2277451
1,3-dibutyl-5-[2-(2,6-diphenylpyran-4-ylidene)ethylidene]-1,3-diazinane-2,4,6-trione
CID 132537167
(4E)-3-bromo-4-butylidene-2,6-diphenylpyran
CID 71694493
(2S,5Z)-5-pentylidene-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one
CID 146308037
1,3-dibutyl-5-[2-(2,6-diphenylpyran-4-ylidene)ethylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 132537168
(3Z,6S,7R)-6,7-dihydroxy-3-pentylidene-4,5,6,7-tetrahydro-2-benzofuran-1-one
CID 162960675
(3Z)-3-butylidene-2-benzofuran-1-one;ethane
CID 143103273
azane;3-butylidene-2-benzofuran-1-one
CID 174279522
1,1'-biphenyl;hexadecane
CID 173308514
(4Z)-2-(3-methylphenyl)-4-pentylidene-1,3-oxazol-5-one
CID 155424413
(3E)-3-(dimethylaminomethylidene)-5-phenylfuran-2-one
CID 762462

Frequently Asked Questions

What is the IUPAC name of (2E)-2-pentylidene-5-phenylfuran-3-one?
The IUPAC name of (2E)-2-pentylidene-5-phenylfuran-3-one (CID 177397277) is (2E)-2-pentylidene-5-phenylfuran-3-one.
What is the SMILES notation for (2E)-2-pentylidene-5-phenylfuran-3-one?
The canonical SMILES for (2E)-2-pentylidene-5-phenylfuran-3-one is CCCC/C=C1/OC(c2ccccc2)=CC1=O.
What is the InChIKey of (2E)-2-pentylidene-5-phenylfuran-3-one?
The InChIKey is PYVYUOMYSWCKHL-GXDHUFHOSA-N. The full InChI is InChI=1S/C15H16O2/c1-2-3-5-10-14-13(16)11-15(17-14)12-8-6-4-7-9-12/h4,6-11H,2-3,5H2,1H3/b14-10+.
What are the key properties of (2E)-2-pentylidene-5-phenylfuran-3-one?
(2E)-2-pentylidene-5-phenylfuran-3-one has a molecular weight of 228.29 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-pentylidene-5-phenylfuran-3-one is sourced from PubChem (CID 177397277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).