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

C14H12O2S — CID 163409620

IUPAC(E)-1-(2-hydroxyphenyl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one
SMILESCc1ccc(/C=C/C(=O)c2ccccc2O)s1
InChIInChI=1S/C14H12O2S/c1-10-6-7-11(17-10)8-9-14(16)12-4-2-3-5-13(12)15/h2-9,15H,1H3/b9-8+
InChIKeyRDBYLGPKYFYETB-CMDGGOBGSA-N
MW244.31 g/mol
LogP3.66
Rot. Bonds3

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

(E)-1-(2-hydroxyphenyl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one (PubChem CID 163409620) has the molecular formula C14H12O2S and a molecular weight of 244.31 g/mol. Its IUPAC name is (E)-1-(2-hydroxyphenyl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2-hydroxyphenyl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one
PubChem CID163409620
Molecular FormulaC14H12O2S
Molecular Weight244.31 g/mol
Exact Mass244.06
IUPAC Name(E)-1-(2-hydroxyphenyl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one
SMILESCc1ccc(/C=C/C(=O)c2ccccc2O)s1
InChIInChI=1S/C14H12O2S/c1-10-6-7-11(17-10)8-9-14(16)12-4-2-3-5-13(12)15/h2-9,15H,1H3/b9-8+
InChIKeyRDBYLGPKYFYETB-CMDGGOBGSA-N
XLogP3.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.66
H-Bond Donors ≤ 51
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-(2-hydroxyphenyl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-(2-hydroxyphenyl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one (CID 163409620) is (E)-1-(2-hydroxyphenyl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(2-hydroxyphenyl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(2-hydroxyphenyl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one is Cc1ccc(/C=C/C(=O)c2ccccc2O)s1.
What is the InChIKey of (E)-1-(2-hydroxyphenyl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one?
The InChIKey is RDBYLGPKYFYETB-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H12O2S/c1-10-6-7-11(17-10)8-9-14(16)12-4-2-3-5-13(12)15/h2-9,15H,1H3/b9-8+.
What are the key properties of (E)-1-(2-hydroxyphenyl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one?
(E)-1-(2-hydroxyphenyl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one has a molecular weight of 244.31 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-hydroxyphenyl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one is sourced from PubChem (CID 163409620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).