furan-2-yl 2-phenylbut-3-ynoate

C14H10O3 — CID 102070869

IUPACfuran-2-yl 2-phenylbut-3-ynoate
SMILESC#CC(C(=O)Oc1ccco1)c1ccccc1
InChIInChI=1S/C14H10O3/c1-2-12(11-7-4-3-5-8-11)14(15)17-13-9-6-10-16-13/h1,3-10,12H
InChIKeyLQJNVMBKSDLNBP-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.60
Rot. Bonds3

About furan-2-yl 2-phenylbut-3-ynoate

furan-2-yl 2-phenylbut-3-ynoate (PubChem CID 102070869) has the molecular formula C14H10O3 and a molecular weight of 226.23 g/mol. Its IUPAC name is furan-2-yl 2-phenylbut-3-ynoate.

Molecular Properties

Compound Namefuran-2-yl 2-phenylbut-3-ynoate
PubChem CID102070869
Molecular FormulaC14H10O3
Molecular Weight226.23 g/mol
Exact Mass226.06
IUPAC Namefuran-2-yl 2-phenylbut-3-ynoate
SMILESC#CC(C(=O)Oc1ccco1)c1ccccc1
InChIInChI=1S/C14H10O3/c1-2-12(11-7-4-3-5-8-11)14(15)17-13-9-6-10-16-13/h1,3-10,12H
InChIKeyLQJNVMBKSDLNBP-UHFFFAOYSA-N
XLogP2.60
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze furan-2-yl 2-phenylbut-3-ynoate 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

calcium;furan-2-yl hydrogen carbonate;hydride;hydrate
CID 173498538
furan-2-yl 2-hydroxy-2-(phenoxymethoxy)acetate
CID 58854776
furan-2-yl 2,4-dimethylpentanoate
CID 11998473
furan-2-yl triphenylgermylformate
CID 11101761
potassium furan-2-yl carbonate
CID 174835445
furan-2-yl 3-amino-3-oxopropanoate
CID 141082647
furan-2-yl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 90119639
azane;carbonic acid;carboxy furan-2-yloxycarbonyl carbonate
CID 174909619
[(1R)-1-(furan-2-yl)-2-methylpropyl] 2,2-diphenylacetate
CID 102259545
furan-2-yl 2,3-dimethylbenzoate
CID 175196099
3-(furan-2-yl)-1,1-diphenylpropan-2-one
CID 83171492
(2R)-2-cyano-N-(furan-2-ylmethyl)-2-phenylacetamide
CID 951669

Frequently Asked Questions

What is the IUPAC name of furan-2-yl 2-phenylbut-3-ynoate?
The IUPAC name of furan-2-yl 2-phenylbut-3-ynoate (CID 102070869) is furan-2-yl 2-phenylbut-3-ynoate.
What is the SMILES notation for furan-2-yl 2-phenylbut-3-ynoate?
The canonical SMILES for furan-2-yl 2-phenylbut-3-ynoate is C#CC(C(=O)Oc1ccco1)c1ccccc1.
What is the InChIKey of furan-2-yl 2-phenylbut-3-ynoate?
The InChIKey is LQJNVMBKSDLNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O3/c1-2-12(11-7-4-3-5-8-11)14(15)17-13-9-6-10-16-13/h1,3-10,12H.
What are the key properties of furan-2-yl 2-phenylbut-3-ynoate?
furan-2-yl 2-phenylbut-3-ynoate has a molecular weight of 226.23 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl 2-phenylbut-3-ynoate is sourced from PubChem (CID 102070869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).