(E)-1-naphthalen-2-ylsulfinyl-2,4-diphenylbut-3-en-2-ol

C26H22O2S — CID 6445654

IUPAC(E)-1-naphthalen-2-ylsulfinyl-2,4-diphenylbut-3-en-2-ol
SMILESO=S(CC(O)(/C=C/c1ccccc1)c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C26H22O2S/c27-26(24-13-5-2-6-14-24,18-17-21-9-3-1-4-10-21)20-29(28)25-16-15-22-11-7-8-12-23(22)19-25/h1-19,27H,20H2/b18-17+
InChIKeyZITNXERSGGHHRA-ISLYRVAYSA-N
MW398.53 g/mol
LogP5.55
Rot. Bonds6

About (E)-1-naphthalen-2-ylsulfinyl-2,4-diphenylbut-3-en-2-ol

(E)-1-naphthalen-2-ylsulfinyl-2,4-diphenylbut-3-en-2-ol (PubChem CID 6445654) has the molecular formula C26H22O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is (E)-1-naphthalen-2-ylsulfinyl-2,4-diphenylbut-3-en-2-ol.

Molecular Properties

Compound Name(E)-1-naphthalen-2-ylsulfinyl-2,4-diphenylbut-3-en-2-ol
PubChem CID6445654
Molecular FormulaC26H22O2S
Molecular Weight398.53 g/mol
Exact Mass398.13
IUPAC Name(E)-1-naphthalen-2-ylsulfinyl-2,4-diphenylbut-3-en-2-ol
SMILESO=S(CC(O)(/C=C/c1ccccc1)c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C26H22O2S/c27-26(24-13-5-2-6-14-24,18-17-21-9-3-1-4-10-21)20-29(28)25-16-15-22-11-7-8-12-23(22)19-25/h1-19,27H,20H2/b18-17+
InChIKeyZITNXERSGGHHRA-ISLYRVAYSA-N
XLogP5.55
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.53
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-1-naphthalen-2-ylsulfinyl-2,4-diphenylbut-3-en-2-ol?
The IUPAC name of (E)-1-naphthalen-2-ylsulfinyl-2,4-diphenylbut-3-en-2-ol (CID 6445654) is (E)-1-naphthalen-2-ylsulfinyl-2,4-diphenylbut-3-en-2-ol.
What is the SMILES notation for (E)-1-naphthalen-2-ylsulfinyl-2,4-diphenylbut-3-en-2-ol?
The canonical SMILES for (E)-1-naphthalen-2-ylsulfinyl-2,4-diphenylbut-3-en-2-ol is O=S(CC(O)(/C=C/c1ccccc1)c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of (E)-1-naphthalen-2-ylsulfinyl-2,4-diphenylbut-3-en-2-ol?
The InChIKey is ZITNXERSGGHHRA-ISLYRVAYSA-N. The full InChI is InChI=1S/C26H22O2S/c27-26(24-13-5-2-6-14-24,18-17-21-9-3-1-4-10-21)20-29(28)25-16-15-22-11-7-8-12-23(22)19-25/h1-19,27H,20H2/b18-17+.
What are the key properties of (E)-1-naphthalen-2-ylsulfinyl-2,4-diphenylbut-3-en-2-ol?
(E)-1-naphthalen-2-ylsulfinyl-2,4-diphenylbut-3-en-2-ol has a molecular weight of 398.53 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-naphthalen-2-ylsulfinyl-2,4-diphenylbut-3-en-2-ol is sourced from PubChem (CID 6445654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).