but-3-enyl 4-phenylbut-3-ynoate

C14H14O2 — CID 175398861

IUPACbut-3-enyl 4-phenylbut-3-ynoate
SMILESC=CCCOC(=O)CC#Cc1ccccc1
InChIInChI=1S/C14H14O2/c1-2-3-12-16-14(15)11-7-10-13-8-5-4-6-9-13/h2,4-6,8-9H,1,3,11-12H2
InChIKeyFTNYOHODIDAZCI-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.55
Rot. Bonds4

About but-3-enyl 4-phenylbut-3-ynoate

but-3-enyl 4-phenylbut-3-ynoate (PubChem CID 175398861) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is but-3-enyl 4-phenylbut-3-ynoate.

Molecular Properties

Compound Namebut-3-enyl 4-phenylbut-3-ynoate
PubChem CID175398861
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Namebut-3-enyl 4-phenylbut-3-ynoate
SMILESC=CCCOC(=O)CC#Cc1ccccc1
InChIInChI=1S/C14H14O2/c1-2-3-12-16-14(15)11-7-10-13-8-5-4-6-9-13/h2,4-6,8-9H,1,3,11-12H2
InChIKeyFTNYOHODIDAZCI-UHFFFAOYSA-N
XLogP2.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-phenylprop-2-ynyl 2-ethenoxyacetate
CID 20688866
ethyl 4-(4-phenoxyphenyl)but-3-ynoate
CID 170472205
3-but-3-enoxy-3-oxopropanoic acid
CID 87604674
but-3-enyl 2-(triphenyl-λ5-phosphanylidene)acetate
CID 142240737
ethyl 4-(3-propoxyphenyl)but-3-ynoate
CID 170471569
ethyl 4-[3-(hydroxyiminomethyl)phenyl]but-3-ynoate
CID 170471344
bis(but-3-enyl) benzene-1,4-dicarboxylate
CID 67880179
trimethyl(5-phenylpent-1-en-4-yn-2-yl)silane
CID 101197462
pent-4-enyl 2-cyanoacetate
CID 12029471
dec-9-enyl phenyl carbonate
CID 90888843
dimethyl 2-(3-phenylprop-2-ynyl)-2-prop-2-enylpropanedioate
CID 11196924
but-3-enyl 2-diazo-2-phenylacetate
CID 122367366

Frequently Asked Questions

What is the IUPAC name of but-3-enyl 4-phenylbut-3-ynoate?
The IUPAC name of but-3-enyl 4-phenylbut-3-ynoate (CID 175398861) is but-3-enyl 4-phenylbut-3-ynoate.
What is the SMILES notation for but-3-enyl 4-phenylbut-3-ynoate?
The canonical SMILES for but-3-enyl 4-phenylbut-3-ynoate is C=CCCOC(=O)CC#Cc1ccccc1.
What is the InChIKey of but-3-enyl 4-phenylbut-3-ynoate?
The InChIKey is FTNYOHODIDAZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-2-3-12-16-14(15)11-7-10-13-8-5-4-6-9-13/h2,4-6,8-9H,1,3,11-12H2.
What are the key properties of but-3-enyl 4-phenylbut-3-ynoate?
but-3-enyl 4-phenylbut-3-ynoate has a molecular weight of 214.26 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enyl 4-phenylbut-3-ynoate is sourced from PubChem (CID 175398861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).