1-(2-phenyl-1-thiophen-2-ylbut-3-en-2-yl)cyclohexan-1-ol

C20H24OS — CID 164682778

IUPAC1-(2-phenyl-1-thiophen-2-ylbut-3-en-2-yl)cyclohexan-1-ol
SMILESC=CC(Cc1cccs1)(c1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C20H24OS/c1-2-19(16-18-12-9-15-22-18,17-10-5-3-6-11-17)20(21)13-7-4-8-14-20/h2-3,5-6,9-12,15,21H,1,4,7-8,13-14,16H2
InChIKeyUARWIWJTWALZTM-UHFFFAOYSA-N
MW312.48 g/mol
LogP5.11
Rot. Bonds5

About 1-(2-phenyl-1-thiophen-2-ylbut-3-en-2-yl)cyclohexan-1-ol

1-(2-phenyl-1-thiophen-2-ylbut-3-en-2-yl)cyclohexan-1-ol (PubChem CID 164682778) has the molecular formula C20H24OS and a molecular weight of 312.48 g/mol. Its IUPAC name is 1-(2-phenyl-1-thiophen-2-ylbut-3-en-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-phenyl-1-thiophen-2-ylbut-3-en-2-yl)cyclohexan-1-ol
PubChem CID164682778
Molecular FormulaC20H24OS
Molecular Weight312.48 g/mol
Exact Mass312.15
IUPAC Name1-(2-phenyl-1-thiophen-2-ylbut-3-en-2-yl)cyclohexan-1-ol
SMILESC=CC(Cc1cccs1)(c1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C20H24OS/c1-2-19(16-18-12-9-15-22-18,17-10-5-3-6-11-17)20(21)13-7-4-8-14-20/h2-3,5-6,9-12,15,21H,1,4,7-8,13-14,16H2
InChIKeyUARWIWJTWALZTM-UHFFFAOYSA-N
XLogP5.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.48
LogP ≤ 55.11
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 1-(2-phenyl-1-thiophen-2-ylbut-3-en-2-yl)cyclohexan-1-ol?
The IUPAC name of 1-(2-phenyl-1-thiophen-2-ylbut-3-en-2-yl)cyclohexan-1-ol (CID 164682778) is 1-(2-phenyl-1-thiophen-2-ylbut-3-en-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-(2-phenyl-1-thiophen-2-ylbut-3-en-2-yl)cyclohexan-1-ol?
The canonical SMILES for 1-(2-phenyl-1-thiophen-2-ylbut-3-en-2-yl)cyclohexan-1-ol is C=CC(Cc1cccs1)(c1ccccc1)C1(O)CCCCC1.
What is the InChIKey of 1-(2-phenyl-1-thiophen-2-ylbut-3-en-2-yl)cyclohexan-1-ol?
The InChIKey is UARWIWJTWALZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24OS/c1-2-19(16-18-12-9-15-22-18,17-10-5-3-6-11-17)20(21)13-7-4-8-14-20/h2-3,5-6,9-12,15,21H,1,4,7-8,13-14,16H2.
What are the key properties of 1-(2-phenyl-1-thiophen-2-ylbut-3-en-2-yl)cyclohexan-1-ol?
1-(2-phenyl-1-thiophen-2-ylbut-3-en-2-yl)cyclohexan-1-ol has a molecular weight of 312.48 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-1-thiophen-2-ylbut-3-en-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 164682778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).