(E)-3-(2-hydroxyphenyl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one

C16H14O2S — CID 70379506

IUPAC(E)-3-(2-hydroxyphenyl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one
SMILESCSc1ccc(C(=O)/C=C/c2ccccc2O)cc1
InChIInChI=1S/C16H14O2S/c1-19-14-9-6-13(7-10-14)16(18)11-8-12-4-2-3-5-15(12)17/h2-11,17H,1H3/b11-8+
InChIKeyNQVFLQFECBGHSN-DHZHZOJOSA-N
MW270.35 g/mol
LogP4.01
Rot. Bonds4

About (E)-3-(2-hydroxyphenyl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one

(E)-3-(2-hydroxyphenyl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one (PubChem CID 70379506) has the molecular formula C16H14O2S and a molecular weight of 270.35 g/mol. Its IUPAC name is (E)-3-(2-hydroxyphenyl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2-hydroxyphenyl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one
PubChem CID70379506
Molecular FormulaC16H14O2S
Molecular Weight270.35 g/mol
Exact Mass270.07
IUPAC Name(E)-3-(2-hydroxyphenyl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one
SMILESCSc1ccc(C(=O)/C=C/c2ccccc2O)cc1
InChIInChI=1S/C16H14O2S/c1-19-14-9-6-13(7-10-14)16(18)11-8-12-4-2-3-5-15(12)17/h2-11,17H,1H3/b11-8+
InChIKeyNQVFLQFECBGHSN-DHZHZOJOSA-N
XLogP4.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(2-hydroxyphenyl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-hydroxyphenyl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(2-hydroxyphenyl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one (CID 70379506) is (E)-3-(2-hydroxyphenyl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(2-hydroxyphenyl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(2-hydroxyphenyl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one is CSc1ccc(C(=O)/C=C/c2ccccc2O)cc1.
What is the InChIKey of (E)-3-(2-hydroxyphenyl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one?
The InChIKey is NQVFLQFECBGHSN-DHZHZOJOSA-N. The full InChI is InChI=1S/C16H14O2S/c1-19-14-9-6-13(7-10-14)16(18)11-8-12-4-2-3-5-15(12)17/h2-11,17H,1H3/b11-8+.
What are the key properties of (E)-3-(2-hydroxyphenyl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one?
(E)-3-(2-hydroxyphenyl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one has a molecular weight of 270.35 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-hydroxyphenyl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one is sourced from PubChem (CID 70379506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).