(E)-4-[2-[hydroxy(phenyl)methyl]phenyl]sulfonyl-1-phenylbut-3-en-1-ol

C23H22O4S — CID 13446880

IUPAC(E)-4-[2-[hydroxy(phenyl)methyl]phenyl]sulfonyl-1-phenylbut-3-en-1-ol
SMILESO=S(=O)(/C=C/CC(O)c1ccccc1)c1ccccc1C(O)c1ccccc1
InChIInChI=1S/C23H22O4S/c24-21(18-10-3-1-4-11-18)15-9-17-28(26,27)22-16-8-7-14-20(22)23(25)19-12-5-2-6-13-19/h1-14,16-17,21,23-25H,15H2/b17-9+
InChIKeyVPLCJAXYTWVUOG-RQZCQDPDSA-N
MW394.49 g/mol
LogP4.18
Rot. Bonds7

About (E)-4-[2-[hydroxy(phenyl)methyl]phenyl]sulfonyl-1-phenylbut-3-en-1-ol

(E)-4-[2-[hydroxy(phenyl)methyl]phenyl]sulfonyl-1-phenylbut-3-en-1-ol (PubChem CID 13446880) has the molecular formula C23H22O4S and a molecular weight of 394.49 g/mol. Its IUPAC name is (E)-4-[2-[hydroxy(phenyl)methyl]phenyl]sulfonyl-1-phenylbut-3-en-1-ol.

Molecular Properties

Compound Name(E)-4-[2-[hydroxy(phenyl)methyl]phenyl]sulfonyl-1-phenylbut-3-en-1-ol
PubChem CID13446880
Molecular FormulaC23H22O4S
Molecular Weight394.49 g/mol
Exact Mass394.12
IUPAC Name(E)-4-[2-[hydroxy(phenyl)methyl]phenyl]sulfonyl-1-phenylbut-3-en-1-ol
SMILESO=S(=O)(/C=C/CC(O)c1ccccc1)c1ccccc1C(O)c1ccccc1
InChIInChI=1S/C23H22O4S/c24-21(18-10-3-1-4-11-18)15-9-17-28(26,27)22-16-8-7-14-20(22)23(25)19-12-5-2-6-13-19/h1-14,16-17,21,23-25H,15H2/b17-9+
InChIKeyVPLCJAXYTWVUOG-RQZCQDPDSA-N
XLogP4.18
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-4-[2-[hydroxy(phenyl)methyl]phenyl]sulfonyl-1-phenylbut-3-en-1-ol?
The IUPAC name of (E)-4-[2-[hydroxy(phenyl)methyl]phenyl]sulfonyl-1-phenylbut-3-en-1-ol (CID 13446880) is (E)-4-[2-[hydroxy(phenyl)methyl]phenyl]sulfonyl-1-phenylbut-3-en-1-ol.
What is the SMILES notation for (E)-4-[2-[hydroxy(phenyl)methyl]phenyl]sulfonyl-1-phenylbut-3-en-1-ol?
The canonical SMILES for (E)-4-[2-[hydroxy(phenyl)methyl]phenyl]sulfonyl-1-phenylbut-3-en-1-ol is O=S(=O)(/C=C/CC(O)c1ccccc1)c1ccccc1C(O)c1ccccc1.
What is the InChIKey of (E)-4-[2-[hydroxy(phenyl)methyl]phenyl]sulfonyl-1-phenylbut-3-en-1-ol?
The InChIKey is VPLCJAXYTWVUOG-RQZCQDPDSA-N. The full InChI is InChI=1S/C23H22O4S/c24-21(18-10-3-1-4-11-18)15-9-17-28(26,27)22-16-8-7-14-20(22)23(25)19-12-5-2-6-13-19/h1-14,16-17,21,23-25H,15H2/b17-9+.
What are the key properties of (E)-4-[2-[hydroxy(phenyl)methyl]phenyl]sulfonyl-1-phenylbut-3-en-1-ol?
(E)-4-[2-[hydroxy(phenyl)methyl]phenyl]sulfonyl-1-phenylbut-3-en-1-ol has a molecular weight of 394.49 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[2-[hydroxy(phenyl)methyl]phenyl]sulfonyl-1-phenylbut-3-en-1-ol is sourced from PubChem (CID 13446880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).