(Z)-3-chloro-4-thiophen-2-ylbut-2-en-1-ol

C8H9ClOS — CID 20542333

IUPAC(Z)-3-chloro-4-thiophen-2-ylbut-2-en-1-ol
SMILESOC/C=C(\Cl)Cc1cccs1
InChIInChI=1S/C8H9ClOS/c9-7(3-4-10)6-8-2-1-5-11-8/h1-3,5,10H,4,6H2/b7-3-
InChIKeyLSFSDRTUEHZAIW-CLTKARDFSA-N
MW188.68 g/mol
LogP2.41
Rot. Bonds3

About (Z)-3-chloro-4-thiophen-2-ylbut-2-en-1-ol

(Z)-3-chloro-4-thiophen-2-ylbut-2-en-1-ol (PubChem CID 20542333) has the molecular formula C8H9ClOS and a molecular weight of 188.68 g/mol. Its IUPAC name is (Z)-3-chloro-4-thiophen-2-ylbut-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-chloro-4-thiophen-2-ylbut-2-en-1-ol
PubChem CID20542333
Molecular FormulaC8H9ClOS
Molecular Weight188.68 g/mol
Exact Mass188.01
IUPAC Name(Z)-3-chloro-4-thiophen-2-ylbut-2-en-1-ol
SMILESOC/C=C(\Cl)Cc1cccs1
InChIInChI=1S/C8H9ClOS/c9-7(3-4-10)6-8-2-1-5-11-8/h1-3,5,10H,4,6H2/b7-3-
InChIKeyLSFSDRTUEHZAIW-CLTKARDFSA-N
XLogP2.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.68
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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[4-chloro-3-(thiophen-2-ylmethylamino)phenyl]methanol
CID 115877219
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Frequently Asked Questions

What is the IUPAC name of (Z)-3-chloro-4-thiophen-2-ylbut-2-en-1-ol?
The IUPAC name of (Z)-3-chloro-4-thiophen-2-ylbut-2-en-1-ol (CID 20542333) is (Z)-3-chloro-4-thiophen-2-ylbut-2-en-1-ol.
What is the SMILES notation for (Z)-3-chloro-4-thiophen-2-ylbut-2-en-1-ol?
The canonical SMILES for (Z)-3-chloro-4-thiophen-2-ylbut-2-en-1-ol is OC/C=C(\Cl)Cc1cccs1.
What is the InChIKey of (Z)-3-chloro-4-thiophen-2-ylbut-2-en-1-ol?
The InChIKey is LSFSDRTUEHZAIW-CLTKARDFSA-N. The full InChI is InChI=1S/C8H9ClOS/c9-7(3-4-10)6-8-2-1-5-11-8/h1-3,5,10H,4,6H2/b7-3-.
What are the key properties of (Z)-3-chloro-4-thiophen-2-ylbut-2-en-1-ol?
(Z)-3-chloro-4-thiophen-2-ylbut-2-en-1-ol has a molecular weight of 188.68 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-chloro-4-thiophen-2-ylbut-2-en-1-ol is sourced from PubChem (CID 20542333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).