(E)-2-(benzenesulfonyl)-3-phenylprop-2-en-1-ol

C15H14O3S — CID 10683728

IUPAC(E)-2-(benzenesulfonyl)-3-phenylprop-2-en-1-ol
SMILESO=S(=O)(/C(=C/c1ccccc1)CO)c1ccccc1
InChIInChI=1S/C15H14O3S/c16-12-15(11-13-7-3-1-4-8-13)19(17,18)14-9-5-2-6-10-14/h1-11,16H,12H2/b15-11+
InChIKeyRXCKIQOQTHZOOS-RVDMUPIBSA-N
MW274.34 g/mol
LogP2.49
Rot. Bonds4

About (E)-2-(benzenesulfonyl)-3-phenylprop-2-en-1-ol

(E)-2-(benzenesulfonyl)-3-phenylprop-2-en-1-ol (PubChem CID 10683728) has the molecular formula C15H14O3S and a molecular weight of 274.34 g/mol. Its IUPAC name is (E)-2-(benzenesulfonyl)-3-phenylprop-2-en-1-ol.

Molecular Properties

Compound Name(E)-2-(benzenesulfonyl)-3-phenylprop-2-en-1-ol
PubChem CID10683728
Molecular FormulaC15H14O3S
Molecular Weight274.34 g/mol
Exact Mass274.07
IUPAC Name(E)-2-(benzenesulfonyl)-3-phenylprop-2-en-1-ol
SMILESO=S(=O)(/C(=C/c1ccccc1)CO)c1ccccc1
InChIInChI=1S/C15H14O3S/c16-12-15(11-13-7-3-1-4-8-13)19(17,18)14-9-5-2-6-10-14/h1-11,16H,12H2/b15-11+
InChIKeyRXCKIQOQTHZOOS-RVDMUPIBSA-N
XLogP2.49
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(benzenesulfonyl)-3-phenylprop-2-en-1-ol?
The IUPAC name of (E)-2-(benzenesulfonyl)-3-phenylprop-2-en-1-ol (CID 10683728) is (E)-2-(benzenesulfonyl)-3-phenylprop-2-en-1-ol.
What is the SMILES notation for (E)-2-(benzenesulfonyl)-3-phenylprop-2-en-1-ol?
The canonical SMILES for (E)-2-(benzenesulfonyl)-3-phenylprop-2-en-1-ol is O=S(=O)(/C(=C/c1ccccc1)CO)c1ccccc1.
What is the InChIKey of (E)-2-(benzenesulfonyl)-3-phenylprop-2-en-1-ol?
The InChIKey is RXCKIQOQTHZOOS-RVDMUPIBSA-N. The full InChI is InChI=1S/C15H14O3S/c16-12-15(11-13-7-3-1-4-8-13)19(17,18)14-9-5-2-6-10-14/h1-11,16H,12H2/b15-11+.
What are the key properties of (E)-2-(benzenesulfonyl)-3-phenylprop-2-en-1-ol?
(E)-2-(benzenesulfonyl)-3-phenylprop-2-en-1-ol has a molecular weight of 274.34 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(benzenesulfonyl)-3-phenylprop-2-en-1-ol is sourced from PubChem (CID 10683728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).