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

C15H16OS2 — CID 19545186

IUPAC(E)-3-(5-methylthiophen-2-yl)-1-(5-propylthiophen-2-yl)prop-2-en-1-one
SMILESCCCc1ccc(C(=O)/C=C/c2ccc(C)s2)s1
InChIInChI=1S/C15H16OS2/c1-3-4-12-8-10-15(18-12)14(16)9-7-13-6-5-11(2)17-13/h5-10H,3-4H2,1-2H3/b9-7+
InChIKeyMANILAWTEDUOTA-VQHVLOKHSA-N
MW276.43 g/mol
LogP4.97
Rot. Bonds5

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

(E)-3-(5-methylthiophen-2-yl)-1-(5-propylthiophen-2-yl)prop-2-en-1-one (PubChem CID 19545186) has the molecular formula C15H16OS2 and a molecular weight of 276.43 g/mol. Its IUPAC name is (E)-3-(5-methylthiophen-2-yl)-1-(5-propylthiophen-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(5-methylthiophen-2-yl)-1-(5-propylthiophen-2-yl)prop-2-en-1-one
PubChem CID19545186
Molecular FormulaC15H16OS2
Molecular Weight276.43 g/mol
Exact Mass276.06
IUPAC Name(E)-3-(5-methylthiophen-2-yl)-1-(5-propylthiophen-2-yl)prop-2-en-1-one
SMILESCCCc1ccc(C(=O)/C=C/c2ccc(C)s2)s1
InChIInChI=1S/C15H16OS2/c1-3-4-12-8-10-15(18-12)14(16)9-7-13-6-5-11(2)17-13/h5-10H,3-4H2,1-2H3/b9-7+
InChIKeyMANILAWTEDUOTA-VQHVLOKHSA-N
XLogP4.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 54.97
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

(E)-3-(2-bromophenyl)-1-(5-propylthiophen-2-yl)prop-2-en-1-one
CID 19545219
(E)-3-(1-methylpyrazol-3-yl)-1-(5-propylthiophen-2-yl)prop-2-en-1-one
CID 19545170
(Z)-3-(5-propylthiophen-2-yl)prop-2-enamide
CID 55267151
(E)-3-(2,4-dichlorophenyl)-1-(5-propylthiophen-2-yl)prop-2-en-1-one
CID 19545087
1-(4-ethylphenyl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one
CID 131632628
ethyl (E)-3-(5-methylthiophen-2-yl)prop-2-enoate
CID 13145237
(E)-3-(4-ethylphenyl)-1-(5-methylthiophen-2-yl)prop-2-en-1-one
CID 19555225
(E)-1-(2-hydroxyphenyl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one
CID 163409620
(E)-1-(1-ethyl-5-methylpyrazol-4-yl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one
CID 19540962
(E)-3-(5-heptylthiophen-2-yl)prop-2-enoic acid
CID 15919237
1-(3,4-dimethylphenyl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one
CID 84855212
(Z)-1,3-bis(5-chlorothiophen-2-yl)prop-2-en-1-one
CID 92532745

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-methylthiophen-2-yl)-1-(5-propylthiophen-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(5-methylthiophen-2-yl)-1-(5-propylthiophen-2-yl)prop-2-en-1-one (CID 19545186) is (E)-3-(5-methylthiophen-2-yl)-1-(5-propylthiophen-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(5-methylthiophen-2-yl)-1-(5-propylthiophen-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(5-methylthiophen-2-yl)-1-(5-propylthiophen-2-yl)prop-2-en-1-one is CCCc1ccc(C(=O)/C=C/c2ccc(C)s2)s1.
What is the InChIKey of (E)-3-(5-methylthiophen-2-yl)-1-(5-propylthiophen-2-yl)prop-2-en-1-one?
The InChIKey is MANILAWTEDUOTA-VQHVLOKHSA-N. The full InChI is InChI=1S/C15H16OS2/c1-3-4-12-8-10-15(18-12)14(16)9-7-13-6-5-11(2)17-13/h5-10H,3-4H2,1-2H3/b9-7+.
What are the key properties of (E)-3-(5-methylthiophen-2-yl)-1-(5-propylthiophen-2-yl)prop-2-en-1-one?
(E)-3-(5-methylthiophen-2-yl)-1-(5-propylthiophen-2-yl)prop-2-en-1-one has a molecular weight of 276.43 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-methylthiophen-2-yl)-1-(5-propylthiophen-2-yl)prop-2-en-1-one is sourced from PubChem (CID 19545186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).