1-(4-ethoxyphenyl)-3-(furan-2-yl)prop-2-en-1-one

C15H14O3 — CID 5219870

IUPAC1-(4-ethoxyphenyl)-3-(furan-2-yl)prop-2-en-1-one
SMILESCCOc1ccc(C(=O)C=Cc2ccco2)cc1
InChIInChI=1S/C15H14O3/c1-2-17-14-7-5-12(6-8-14)15(16)10-9-13-4-3-11-18-13/h3-11H,2H2,1H3
InChIKeyPGGLZCHHNHKVKW-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.57
Rot. Bonds5

About 1-(4-ethoxyphenyl)-3-(furan-2-yl)prop-2-en-1-one

1-(4-ethoxyphenyl)-3-(furan-2-yl)prop-2-en-1-one (PubChem CID 5219870) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(furan-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(furan-2-yl)prop-2-en-1-one
PubChem CID5219870
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name1-(4-ethoxyphenyl)-3-(furan-2-yl)prop-2-en-1-one
SMILESCCOc1ccc(C(=O)C=Cc2ccco2)cc1
InChIInChI=1S/C15H14O3/c1-2-17-14-7-5-12(6-8-14)15(16)10-9-13-4-3-11-18-13/h3-11H,2H2,1H3
InChIKeyPGGLZCHHNHKVKW-UHFFFAOYSA-N
XLogP3.57
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminophenyl)-3-(furan-2-yl)prop-2-en-1-one
CID 2859153
(Z)-1-(4-fluorophenyl)-3-(furan-2-yl)prop-2-en-1-one
CID 11550283
(E)-3-(furan-2-yl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one
CID 11842503
(E)-3-(furan-2-yl)-1-(6-methyl-3-pyridinyl)prop-2-en-1-one
CID 5376055
(Z)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 92913105
(E)-1-[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-3-(furan-2-yl)prop-2-en-1-one
CID 155813072
3-(4-bromophenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 2880500
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
CID 4820387
1-(4-ethoxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one
CID 2880362
(E)-1-[4-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(furan-2-yl)prop-2-en-1-one
CID 44520468
(E)-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3-(furan-2-yl)prop-2-enamide
CID 60534017
(E)-1-(4-ethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 5346015

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(furan-2-yl)prop-2-en-1-one?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(furan-2-yl)prop-2-en-1-one (CID 5219870) is 1-(4-ethoxyphenyl)-3-(furan-2-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(furan-2-yl)prop-2-en-1-one?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(furan-2-yl)prop-2-en-1-one is CCOc1ccc(C(=O)C=Cc2ccco2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(furan-2-yl)prop-2-en-1-one?
The InChIKey is PGGLZCHHNHKVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-2-17-14-7-5-12(6-8-14)15(16)10-9-13-4-3-11-18-13/h3-11H,2H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)-3-(furan-2-yl)prop-2-en-1-one?
1-(4-ethoxyphenyl)-3-(furan-2-yl)prop-2-en-1-one has a molecular weight of 242.27 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-(furan-2-yl)prop-2-en-1-one is sourced from PubChem (CID 5219870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).