(E)-4-(4-chlorothiophen-2-yl)but-3-en-2-ol

C8H9ClOS — CID 103971436

IUPAC(E)-4-(4-chlorothiophen-2-yl)but-3-en-2-ol
SMILESCC(O)/C=C/c1cc(Cl)cs1
InChIInChI=1S/C8H9ClOS/c1-6(10)2-3-8-4-7(9)5-11-8/h2-6,10H,1H3/b3-2+
InChIKeyQSDBDRMNLZQYNJ-NSCUHMNNSA-N
MW188.68 g/mol
LogP2.80
Rot. Bonds2

About (E)-4-(4-chlorothiophen-2-yl)but-3-en-2-ol

(E)-4-(4-chlorothiophen-2-yl)but-3-en-2-ol (PubChem CID 103971436) has the molecular formula C8H9ClOS and a molecular weight of 188.68 g/mol. Its IUPAC name is (E)-4-(4-chlorothiophen-2-yl)but-3-en-2-ol.

Molecular Properties

Compound Name(E)-4-(4-chlorothiophen-2-yl)but-3-en-2-ol
PubChem CID103971436
Molecular FormulaC8H9ClOS
Molecular Weight188.68 g/mol
Exact Mass188.01
IUPAC Name(E)-4-(4-chlorothiophen-2-yl)but-3-en-2-ol
SMILESCC(O)/C=C/c1cc(Cl)cs1
InChIInChI=1S/C8H9ClOS/c1-6(10)2-3-8-4-7(9)5-11-8/h2-6,10H,1H3/b3-2+
InChIKeyQSDBDRMNLZQYNJ-NSCUHMNNSA-N
XLogP2.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.68
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-chlorothiophen-2-yl)but-3-en-2-ol?
The IUPAC name of (E)-4-(4-chlorothiophen-2-yl)but-3-en-2-ol (CID 103971436) is (E)-4-(4-chlorothiophen-2-yl)but-3-en-2-ol.
What is the SMILES notation for (E)-4-(4-chlorothiophen-2-yl)but-3-en-2-ol?
The canonical SMILES for (E)-4-(4-chlorothiophen-2-yl)but-3-en-2-ol is CC(O)/C=C/c1cc(Cl)cs1.
What is the InChIKey of (E)-4-(4-chlorothiophen-2-yl)but-3-en-2-ol?
The InChIKey is QSDBDRMNLZQYNJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H9ClOS/c1-6(10)2-3-8-4-7(9)5-11-8/h2-6,10H,1H3/b3-2+.
What are the key properties of (E)-4-(4-chlorothiophen-2-yl)but-3-en-2-ol?
(E)-4-(4-chlorothiophen-2-yl)but-3-en-2-ol has a molecular weight of 188.68 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-chlorothiophen-2-yl)but-3-en-2-ol is sourced from PubChem (CID 103971436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).