(E)-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one

C19H16O4S — CID 19544674

IUPAC(E)-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one
SMILESCOc1ccc(OCc2ccc(/C=C/C(=O)c3cccs3)o2)cc1
InChIInChI=1S/C19H16O4S/c1-21-14-4-6-15(7-5-14)22-13-17-9-8-16(23-17)10-11-18(20)19-3-2-12-24-19/h2-12H,13H2,1H3/b11-10+
InChIKeyAVVSUPQMQMKWHY-ZHACJKMWSA-N
MW340.40 g/mol
LogP4.82
Rot. Bonds7

About (E)-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one

(E)-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one (PubChem CID 19544674) has the molecular formula C19H16O4S and a molecular weight of 340.40 g/mol. Its IUPAC name is (E)-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one
PubChem CID19544674
Molecular FormulaC19H16O4S
Molecular Weight340.40 g/mol
Exact Mass340.08
IUPAC Name(E)-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one
SMILESCOc1ccc(OCc2ccc(/C=C/C(=O)c3cccs3)o2)cc1
InChIInChI=1S/C19H16O4S/c1-21-14-4-6-15(7-5-14)22-13-17-9-8-16(23-17)10-11-18(20)19-3-2-12-24-19/h2-12H,13H2,1H3/b11-10+
InChIKeyAVVSUPQMQMKWHY-ZHACJKMWSA-N
XLogP4.82
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[5-[(2-chlorophenoxy)methyl]furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one
CID 19544697
(E)-1-(4-bromophenyl)-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]prop-2-en-1-one
CID 19541318
(E)-3-[5-[(4-chlorophenoxy)methyl]furan-2-yl]-1-(5-methylthiophen-2-yl)prop-2-en-1-one
CID 19555148
(E)-1-(4-bromothiophen-2-yl)-3-[5-[(4-ethylphenoxy)methyl]furan-2-yl]prop-2-en-1-one
CID 19569614
(E)-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-1-(4-piperidin-1-ylphenyl)prop-2-en-1-one
CID 19560841
3-(5-iodofuran-2-yl)-1-thiophen-2-ylprop-2-en-1-one
CID 2892037
4-[[5-[(E)-3-(5-methylthiophen-2-yl)-3-oxoprop-1-enyl]furan-2-yl]methoxy]benzonitrile
CID 19555117
(E)-3-[5-[(4-ethylphenoxy)methyl]furan-2-yl]-1-(5-propylthiophen-2-yl)prop-2-en-1-one
CID 19545202
(E)-1-(4-methoxyphenyl)-3-[5-[(2,4,6-tribromophenoxy)methyl]furan-2-yl]prop-2-en-1-one
CID 19558685
(E)-1-(2,5-dimethylthiophen-3-yl)-3-[5-(phenoxymethyl)furan-2-yl]prop-2-en-1-one
CID 19558594
(E)-1-(4-bromo-5-propylthiophen-2-yl)-3-[5-(phenoxymethyl)furan-2-yl]prop-2-en-1-one
CID 19545007
(E)-1-(2,5-dimethylthiophen-3-yl)-3-[5-[(4-fluorophenoxy)methyl]furan-2-yl]prop-2-en-1-one
CID 19556929

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of (E)-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one (CID 19544674) is (E)-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one is COc1ccc(OCc2ccc(/C=C/C(=O)c3cccs3)o2)cc1.
What is the InChIKey of (E)-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one?
The InChIKey is AVVSUPQMQMKWHY-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H16O4S/c1-21-14-4-6-15(7-5-14)22-13-17-9-8-16(23-17)10-11-18(20)19-3-2-12-24-19/h2-12H,13H2,1H3/b11-10+.
What are the key properties of (E)-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one?
(E)-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one has a molecular weight of 340.40 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 19544674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).