(E)-2-(4-chlorophenyl)sulfanylbut-2-en-1-ol

C10H11ClOS — CID 46177626

IUPAC(E)-2-(4-chlorophenyl)sulfanylbut-2-en-1-ol
SMILESC/C=C(\CO)Sc1ccc(Cl)cc1
InChIInChI=1S/C10H11ClOS/c1-2-9(7-12)13-10-5-3-8(11)4-6-10/h2-6,12H,7H2,1H3/b9-2+
InChIKeyRXQMEXZIPKKLGM-XNWCZRBMSA-N
MW214.72 g/mol
LogP3.33
Rot. Bonds3

About (E)-2-(4-chlorophenyl)sulfanylbut-2-en-1-ol

(E)-2-(4-chlorophenyl)sulfanylbut-2-en-1-ol (PubChem CID 46177626) has the molecular formula C10H11ClOS and a molecular weight of 214.72 g/mol. Its IUPAC name is (E)-2-(4-chlorophenyl)sulfanylbut-2-en-1-ol.

Molecular Properties

Compound Name(E)-2-(4-chlorophenyl)sulfanylbut-2-en-1-ol
PubChem CID46177626
Molecular FormulaC10H11ClOS
Molecular Weight214.72 g/mol
Exact Mass214.02
IUPAC Name(E)-2-(4-chlorophenyl)sulfanylbut-2-en-1-ol
SMILESC/C=C(\CO)Sc1ccc(Cl)cc1
InChIInChI=1S/C10H11ClOS/c1-2-9(7-12)13-10-5-3-8(11)4-6-10/h2-6,12H,7H2,1H3/b9-2+
InChIKeyRXQMEXZIPKKLGM-XNWCZRBMSA-N
XLogP3.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.72
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-chlorophenyl)sulfanylbut-2-en-1-ol?
The IUPAC name of (E)-2-(4-chlorophenyl)sulfanylbut-2-en-1-ol (CID 46177626) is (E)-2-(4-chlorophenyl)sulfanylbut-2-en-1-ol.
What is the SMILES notation for (E)-2-(4-chlorophenyl)sulfanylbut-2-en-1-ol?
The canonical SMILES for (E)-2-(4-chlorophenyl)sulfanylbut-2-en-1-ol is C/C=C(\CO)Sc1ccc(Cl)cc1.
What is the InChIKey of (E)-2-(4-chlorophenyl)sulfanylbut-2-en-1-ol?
The InChIKey is RXQMEXZIPKKLGM-XNWCZRBMSA-N. The full InChI is InChI=1S/C10H11ClOS/c1-2-9(7-12)13-10-5-3-8(11)4-6-10/h2-6,12H,7H2,1H3/b9-2+.
What are the key properties of (E)-2-(4-chlorophenyl)sulfanylbut-2-en-1-ol?
(E)-2-(4-chlorophenyl)sulfanylbut-2-en-1-ol has a molecular weight of 214.72 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-chlorophenyl)sulfanylbut-2-en-1-ol is sourced from PubChem (CID 46177626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).