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

C12H10O2S — CID 75359505

IUPAC(E)-1-(furan-2-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one
SMILESCc1ccsc1/C=C/C(=O)c1ccco1
InChIInChI=1S/C12H10O2S/c1-9-6-8-15-12(9)5-4-10(13)11-3-2-7-14-11/h2-8H,1H3/b5-4+
InChIKeySRQPGVBSYRSIRH-SNAWJCMRSA-N
MW218.28 g/mol
LogP3.55
Rot. Bonds3

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

(E)-1-(furan-2-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one (PubChem CID 75359505) has the molecular formula C12H10O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is (E)-1-(furan-2-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(furan-2-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one
PubChem CID75359505
Molecular FormulaC12H10O2S
Molecular Weight218.28 g/mol
Exact Mass218.04
IUPAC Name(E)-1-(furan-2-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one
SMILESCc1ccsc1/C=C/C(=O)c1ccco1
InChIInChI=1S/C12H10O2S/c1-9-6-8-15-12(9)5-4-10(13)11-3-2-7-14-11/h2-8H,1H3/b5-4+
InChIKeySRQPGVBSYRSIRH-SNAWJCMRSA-N
XLogP3.55
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 53.55
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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Frequently Asked Questions

What is the IUPAC name of (E)-1-(furan-2-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-(furan-2-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one (CID 75359505) is (E)-1-(furan-2-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(furan-2-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(furan-2-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one is Cc1ccsc1/C=C/C(=O)c1ccco1.
What is the InChIKey of (E)-1-(furan-2-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one?
The InChIKey is SRQPGVBSYRSIRH-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H10O2S/c1-9-6-8-15-12(9)5-4-10(13)11-3-2-7-14-11/h2-8H,1H3/b5-4+.
What are the key properties of (E)-1-(furan-2-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one?
(E)-1-(furan-2-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one has a molecular weight of 218.28 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(furan-2-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one is sourced from PubChem (CID 75359505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).