4-(furan-2-yl)-2-phenylbut-2-enal

C14H12O2 — CID 174960857

IUPAC4-(furan-2-yl)-2-phenylbut-2-enal
SMILESO=CC(=CCc1ccco1)c1ccccc1
InChIInChI=1S/C14H12O2/c15-11-13(12-5-2-1-3-6-12)8-9-14-7-4-10-16-14/h1-8,10-11H,9H2
InChIKeyIHEKBCILLGDCHK-UHFFFAOYSA-N
MW212.25 g/mol
LogP3.10
Rot. Bonds4

About 4-(furan-2-yl)-2-phenylbut-2-enal

4-(furan-2-yl)-2-phenylbut-2-enal (PubChem CID 174960857) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-phenylbut-2-enal.

Molecular Properties

Compound Name4-(furan-2-yl)-2-phenylbut-2-enal
PubChem CID174960857
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name4-(furan-2-yl)-2-phenylbut-2-enal
SMILESO=CC(=CCc1ccco1)c1ccccc1
InChIInChI=1S/C14H12O2/c15-11-13(12-5-2-1-3-6-12)8-9-14-7-4-10-16-14/h1-8,10-11H,9H2
InChIKeyIHEKBCILLGDCHK-UHFFFAOYSA-N
XLogP3.10
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(furan-2-yl)prop-1-enyl benzoate
CID 57083610
S-(furan-2-ylmethyl) 3-oxo-3-phenylpropanethioate
CID 10730053
2-[1,3-bis(furan-2-yl)-2-(furan-2-ylmethyl)propan-2-yl]-4-(furan-2-yl)but-2-enoic acid
CID 54506556
2-phenylhex-2-enal
CID 3023641
(Z)-5-(furan-2-yl)pent-3-enal
CID 117268161
2-(furan-2-ylmethyl)prop-2-enal
CID 117266840
2-phenylbut-2-enal;hydrate
CID 172778769
3-(furan-2-yl)prop-1-en-1-one
CID 22058153
2-(furan-2-ylmethylsulfanyl)benzaldehyde
CID 63803722
4-(furan-2-yl)butanal
CID 14455558
furan-2-ylmethylsulfanylformic acid
CID 87843424
2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]furan
CID 170313495

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2-phenylbut-2-enal?
The IUPAC name of 4-(furan-2-yl)-2-phenylbut-2-enal (CID 174960857) is 4-(furan-2-yl)-2-phenylbut-2-enal.
What is the SMILES notation for 4-(furan-2-yl)-2-phenylbut-2-enal?
The canonical SMILES for 4-(furan-2-yl)-2-phenylbut-2-enal is O=CC(=CCc1ccco1)c1ccccc1.
What is the InChIKey of 4-(furan-2-yl)-2-phenylbut-2-enal?
The InChIKey is IHEKBCILLGDCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2/c15-11-13(12-5-2-1-3-6-12)8-9-14-7-4-10-16-14/h1-8,10-11H,9H2.
What are the key properties of 4-(furan-2-yl)-2-phenylbut-2-enal?
4-(furan-2-yl)-2-phenylbut-2-enal has a molecular weight of 212.25 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-2-phenylbut-2-enal is sourced from PubChem (CID 174960857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).