1-(3,5-dimethylcyclohex-3-en-1-yl)-2-thiophen-3-ylethanol

C14H20OS — CID 103277384

IUPAC1-(3,5-dimethylcyclohex-3-en-1-yl)-2-thiophen-3-ylethanol
SMILESCC1=CC(C)CC(C(O)Cc2ccsc2)C1
InChIInChI=1S/C14H20OS/c1-10-5-11(2)7-13(6-10)14(15)8-12-3-4-16-9-12/h3-5,9-10,13-15H,6-8H2,1-2H3
InChIKeyAKUODDFMNPXORC-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.64
Rot. Bonds3

About 1-(3,5-dimethylcyclohex-3-en-1-yl)-2-thiophen-3-ylethanol

1-(3,5-dimethylcyclohex-3-en-1-yl)-2-thiophen-3-ylethanol (PubChem CID 103277384) has the molecular formula C14H20OS and a molecular weight of 236.38 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohex-3-en-1-yl)-2-thiophen-3-ylethanol.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohex-3-en-1-yl)-2-thiophen-3-ylethanol
PubChem CID103277384
Molecular FormulaC14H20OS
Molecular Weight236.38 g/mol
Exact Mass236.12
IUPAC Name1-(3,5-dimethylcyclohex-3-en-1-yl)-2-thiophen-3-ylethanol
SMILESCC1=CC(C)CC(C(O)Cc2ccsc2)C1
InChIInChI=1S/C14H20OS/c1-10-5-11(2)7-13(6-10)14(15)8-12-3-4-16-9-12/h3-5,9-10,13-15H,6-8H2,1-2H3
InChIKeyAKUODDFMNPXORC-UHFFFAOYSA-N
XLogP3.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-1-(3,5-dimethylcyclohex-3-en-1-yl)ethanol
CID 103277720
1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 103277576
1-(3,5-dimethylcyclohex-3-en-1-yl)pentan-1-ol
CID 103277568
1-(thiolan-3-yl)-2-thiophen-3-ylethanol
CID 105089532
1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 103277497
1-(5,6-dimethyl-1,4-dithian-2-yl)-2-thiophen-3-ylethanol
CID 103345099
1-(1,4-dimethylpiperazin-2-yl)-2-thiophen-3-ylethanol
CID 79659396
3-methyl-1-thiophen-3-ylbutan-2-ol
CID 62605936
1-thiophen-3-ylbutane-2,3-diol
CID 103452838
1-(oxolan-2-yl)-2-thiophen-3-ylethanol
CID 65330907
3-(2-fluoropropyl)thiophene
CID 74766003
1-(5-methyloxolan-3-yl)-3-thiophen-3-ylpropan-1-ol
CID 115798359

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohex-3-en-1-yl)-2-thiophen-3-ylethanol?
The IUPAC name of 1-(3,5-dimethylcyclohex-3-en-1-yl)-2-thiophen-3-ylethanol (CID 103277384) is 1-(3,5-dimethylcyclohex-3-en-1-yl)-2-thiophen-3-ylethanol.
What is the SMILES notation for 1-(3,5-dimethylcyclohex-3-en-1-yl)-2-thiophen-3-ylethanol?
The canonical SMILES for 1-(3,5-dimethylcyclohex-3-en-1-yl)-2-thiophen-3-ylethanol is CC1=CC(C)CC(C(O)Cc2ccsc2)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohex-3-en-1-yl)-2-thiophen-3-ylethanol?
The InChIKey is AKUODDFMNPXORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20OS/c1-10-5-11(2)7-13(6-10)14(15)8-12-3-4-16-9-12/h3-5,9-10,13-15H,6-8H2,1-2H3.
What are the key properties of 1-(3,5-dimethylcyclohex-3-en-1-yl)-2-thiophen-3-ylethanol?
1-(3,5-dimethylcyclohex-3-en-1-yl)-2-thiophen-3-ylethanol has a molecular weight of 236.38 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohex-3-en-1-yl)-2-thiophen-3-ylethanol is sourced from PubChem (CID 103277384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).