(2R,3S)-3-(5-chlorothiophen-2-yl)pent-4-en-2-ol

C9H11ClOS — CID 162415142

IUPAC(2R,3S)-3-(5-chlorothiophen-2-yl)pent-4-en-2-ol
SMILESC=C[C@H](c1ccc(Cl)s1)[C@@H](C)O
InChIInChI=1S/C9H11ClOS/c1-3-7(6(2)11)8-4-5-9(10)12-8/h3-7,11H,1H2,2H3/t6-,7+/m1/s1
InChIKeyKBBOGMVVMOYDAG-RQJHMYQMSA-N
MW202.71 g/mol
LogP3.05
Rot. Bonds3

About (2R,3S)-3-(5-chlorothiophen-2-yl)pent-4-en-2-ol

(2R,3S)-3-(5-chlorothiophen-2-yl)pent-4-en-2-ol (PubChem CID 162415142) has the molecular formula C9H11ClOS and a molecular weight of 202.71 g/mol. Its IUPAC name is (2R,3S)-3-(5-chlorothiophen-2-yl)pent-4-en-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-(5-chlorothiophen-2-yl)pent-4-en-2-ol
PubChem CID162415142
Molecular FormulaC9H11ClOS
Molecular Weight202.71 g/mol
Exact Mass202.02
IUPAC Name(2R,3S)-3-(5-chlorothiophen-2-yl)pent-4-en-2-ol
SMILESC=C[C@H](c1ccc(Cl)s1)[C@@H](C)O
InChIInChI=1S/C9H11ClOS/c1-3-7(6(2)11)8-4-5-9(10)12-8/h3-7,11H,1H2,2H3/t6-,7+/m1/s1
InChIKeyKBBOGMVVMOYDAG-RQJHMYQMSA-N
XLogP3.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.71
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(5-chlorothiophen-2-yl)pent-4-en-2-ol?
The IUPAC name of (2R,3S)-3-(5-chlorothiophen-2-yl)pent-4-en-2-ol (CID 162415142) is (2R,3S)-3-(5-chlorothiophen-2-yl)pent-4-en-2-ol.
What is the SMILES notation for (2R,3S)-3-(5-chlorothiophen-2-yl)pent-4-en-2-ol?
The canonical SMILES for (2R,3S)-3-(5-chlorothiophen-2-yl)pent-4-en-2-ol is C=C[C@H](c1ccc(Cl)s1)[C@@H](C)O.
What is the InChIKey of (2R,3S)-3-(5-chlorothiophen-2-yl)pent-4-en-2-ol?
The InChIKey is KBBOGMVVMOYDAG-RQJHMYQMSA-N. The full InChI is InChI=1S/C9H11ClOS/c1-3-7(6(2)11)8-4-5-9(10)12-8/h3-7,11H,1H2,2H3/t6-,7+/m1/s1.
What are the key properties of (2R,3S)-3-(5-chlorothiophen-2-yl)pent-4-en-2-ol?
(2R,3S)-3-(5-chlorothiophen-2-yl)pent-4-en-2-ol has a molecular weight of 202.71 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(5-chlorothiophen-2-yl)pent-4-en-2-ol is sourced from PubChem (CID 162415142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).