(E)-3-(4-ethylphenyl)-1-(5-methylthiophen-2-yl)prop-2-en-1-one

C16H16OS — CID 19555225

IUPAC(E)-3-(4-ethylphenyl)-1-(5-methylthiophen-2-yl)prop-2-en-1-one
SMILESCCc1ccc(/C=C/C(=O)c2ccc(C)s2)cc1
InChIInChI=1S/C16H16OS/c1-3-13-5-7-14(8-6-13)9-10-15(17)16-11-4-12(2)18-16/h4-11H,3H2,1-2H3/b10-9+
InChIKeyMZCUNDLQECMHOR-MDZDMXLPSA-N
MW256.37 g/mol
LogP4.52
Rot. Bonds4

About (E)-3-(4-ethylphenyl)-1-(5-methylthiophen-2-yl)prop-2-en-1-one

(E)-3-(4-ethylphenyl)-1-(5-methylthiophen-2-yl)prop-2-en-1-one (PubChem CID 19555225) has the molecular formula C16H16OS and a molecular weight of 256.37 g/mol. Its IUPAC name is (E)-3-(4-ethylphenyl)-1-(5-methylthiophen-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-ethylphenyl)-1-(5-methylthiophen-2-yl)prop-2-en-1-one
PubChem CID19555225
Molecular FormulaC16H16OS
Molecular Weight256.37 g/mol
Exact Mass256.09
IUPAC Name(E)-3-(4-ethylphenyl)-1-(5-methylthiophen-2-yl)prop-2-en-1-one
SMILESCCc1ccc(/C=C/C(=O)c2ccc(C)s2)cc1
InChIInChI=1S/C16H16OS/c1-3-13-5-7-14(8-6-13)9-10-15(17)16-11-4-12(2)18-16/h4-11H,3H2,1-2H3/b10-9+
InChIKeyMZCUNDLQECMHOR-MDZDMXLPSA-N
XLogP4.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[4-(diethylamino)phenyl]-1-(5-methylthiophen-2-yl)prop-2-en-1-one
CID 19555091
1-(4-ethylphenyl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one
CID 131632628
(E)-3-(3,4-dimethoxyphenyl)-1-(5-methylthiophen-2-yl)prop-2-en-1-one
CID 9213036
4-[(E)-3-(4-ethylphenyl)-3-oxoprop-1-enyl]benzoic acid
CID 9448299
(E)-3-(1-decylpyridin-1-ium-3-yl)-1-(5-methylthiophen-2-yl)prop-2-en-1-one
CID 23627045
(E)-3-(4-ethylphenyl)prop-2-enamide
CID 19347567
3-[4-methoxy-3-(methoxymethyl)phenyl]-1-(5-methylthiophen-2-yl)prop-2-en-1-one
CID 4775209
(E)-1-(4-bromophenyl)-3-(4-ethylphenyl)prop-2-en-1-one
CID 19541409
N-(4-ethylphenyl)-5-methylthiophene-2-carboxamide
CID 42992010
(E)-3-(2-ethoxyphenyl)-1-(5-methylthiophen-2-yl)prop-2-en-1-one
CID 60503498
(E)-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1-(5-methylthiophen-2-yl)prop-2-en-1-one
CID 60503533
(E)-1-(5-ethylthiophen-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 19557001

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-ethylphenyl)-1-(5-methylthiophen-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(4-ethylphenyl)-1-(5-methylthiophen-2-yl)prop-2-en-1-one (CID 19555225) is (E)-3-(4-ethylphenyl)-1-(5-methylthiophen-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-ethylphenyl)-1-(5-methylthiophen-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(4-ethylphenyl)-1-(5-methylthiophen-2-yl)prop-2-en-1-one is CCc1ccc(/C=C/C(=O)c2ccc(C)s2)cc1.
What is the InChIKey of (E)-3-(4-ethylphenyl)-1-(5-methylthiophen-2-yl)prop-2-en-1-one?
The InChIKey is MZCUNDLQECMHOR-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H16OS/c1-3-13-5-7-14(8-6-13)9-10-15(17)16-11-4-12(2)18-16/h4-11H,3H2,1-2H3/b10-9+.
What are the key properties of (E)-3-(4-ethylphenyl)-1-(5-methylthiophen-2-yl)prop-2-en-1-one?
(E)-3-(4-ethylphenyl)-1-(5-methylthiophen-2-yl)prop-2-en-1-one has a molecular weight of 256.37 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-ethylphenyl)-1-(5-methylthiophen-2-yl)prop-2-en-1-one is sourced from PubChem (CID 19555225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).