(1S,4Z,8S)-8-(4-chlorophenyl)sulfanylcyclooct-4-en-1-ol

C14H17ClOS — CID 102425239

IUPAC(1S,4Z,8S)-8-(4-chlorophenyl)sulfanylcyclooct-4-en-1-ol
SMILESO[C@H]1CC/C=C\CC[C@@H]1Sc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClOS/c15-11-7-9-12(10-8-11)17-14-6-4-2-1-3-5-13(14)16/h1-2,7-10,13-14,16H,3-6H2/b2-1-/t13-,14-/m0/s1
InChIKeyBYESKWGGZHITON-GFCAHOMWSA-N
MW268.81 g/mol
LogP4.29
Rot. Bonds2

About (1S,4Z,8S)-8-(4-chlorophenyl)sulfanylcyclooct-4-en-1-ol

(1S,4Z,8S)-8-(4-chlorophenyl)sulfanylcyclooct-4-en-1-ol (PubChem CID 102425239) has the molecular formula C14H17ClOS and a molecular weight of 268.81 g/mol. Its IUPAC name is (1S,4Z,8S)-8-(4-chlorophenyl)sulfanylcyclooct-4-en-1-ol.

Molecular Properties

Compound Name(1S,4Z,8S)-8-(4-chlorophenyl)sulfanylcyclooct-4-en-1-ol
PubChem CID102425239
Molecular FormulaC14H17ClOS
Molecular Weight268.81 g/mol
Exact Mass268.07
IUPAC Name(1S,4Z,8S)-8-(4-chlorophenyl)sulfanylcyclooct-4-en-1-ol
SMILESO[C@H]1CC/C=C\CC[C@@H]1Sc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClOS/c15-11-7-9-12(10-8-11)17-14-6-4-2-1-3-5-13(14)16/h1-2,7-10,13-14,16H,3-6H2/b2-1-/t13-,14-/m0/s1
InChIKeyBYESKWGGZHITON-GFCAHOMWSA-N
XLogP4.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.81
LogP ≤ 54.29
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 (1S,4Z,8S)-8-(4-chlorophenyl)sulfanylcyclooct-4-en-1-ol?
The IUPAC name of (1S,4Z,8S)-8-(4-chlorophenyl)sulfanylcyclooct-4-en-1-ol (CID 102425239) is (1S,4Z,8S)-8-(4-chlorophenyl)sulfanylcyclooct-4-en-1-ol.
What is the SMILES notation for (1S,4Z,8S)-8-(4-chlorophenyl)sulfanylcyclooct-4-en-1-ol?
The canonical SMILES for (1S,4Z,8S)-8-(4-chlorophenyl)sulfanylcyclooct-4-en-1-ol is O[C@H]1CC/C=C\CC[C@@H]1Sc1ccc(Cl)cc1.
What is the InChIKey of (1S,4Z,8S)-8-(4-chlorophenyl)sulfanylcyclooct-4-en-1-ol?
The InChIKey is BYESKWGGZHITON-GFCAHOMWSA-N. The full InChI is InChI=1S/C14H17ClOS/c15-11-7-9-12(10-8-11)17-14-6-4-2-1-3-5-13(14)16/h1-2,7-10,13-14,16H,3-6H2/b2-1-/t13-,14-/m0/s1.
What are the key properties of (1S,4Z,8S)-8-(4-chlorophenyl)sulfanylcyclooct-4-en-1-ol?
(1S,4Z,8S)-8-(4-chlorophenyl)sulfanylcyclooct-4-en-1-ol has a molecular weight of 268.81 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4Z,8S)-8-(4-chlorophenyl)sulfanylcyclooct-4-en-1-ol is sourced from PubChem (CID 102425239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).