1-(1-ethoxycycloheptyl)-2-thiophen-2-ylethanol

C15H24O2S — CID 116756164

IUPAC1-(1-ethoxycycloheptyl)-2-thiophen-2-ylethanol
SMILESCCOC1(C(O)Cc2cccs2)CCCCCC1
InChIInChI=1S/C15H24O2S/c1-2-17-15(9-5-3-4-6-10-15)14(16)12-13-8-7-11-18-13/h7-8,11,14,16H,2-6,9-10,12H2,1H3
InChIKeyWIZDNKJAQXCYFB-UHFFFAOYSA-N
MW268.42 g/mol
LogP3.78
Rot. Bonds5

About 1-(1-ethoxycycloheptyl)-2-thiophen-2-ylethanol

1-(1-ethoxycycloheptyl)-2-thiophen-2-ylethanol (PubChem CID 116756164) has the molecular formula C15H24O2S and a molecular weight of 268.42 g/mol. Its IUPAC name is 1-(1-ethoxycycloheptyl)-2-thiophen-2-ylethanol.

Molecular Properties

Compound Name1-(1-ethoxycycloheptyl)-2-thiophen-2-ylethanol
PubChem CID116756164
Molecular FormulaC15H24O2S
Molecular Weight268.42 g/mol
Exact Mass268.15
IUPAC Name1-(1-ethoxycycloheptyl)-2-thiophen-2-ylethanol
SMILESCCOC1(C(O)Cc2cccs2)CCCCCC1
InChIInChI=1S/C15H24O2S/c1-2-17-15(9-5-3-4-6-10-15)14(16)12-13-8-7-11-18-13/h7-8,11,14,16H,2-6,9-10,12H2,1H3
InChIKeyWIZDNKJAQXCYFB-UHFFFAOYSA-N
XLogP3.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-ethoxycycloheptyl)-2-thiophen-2-ylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-methoxycycloheptyl)-2-thiophen-2-ylethanol
CID 116755920
1-(1-methoxycyclohexyl)-2-thiophen-2-ylethanol
CID 116753410
2-(4-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)ethanol
CID 116753085
2-(2-chlorophenyl)-1-(1-ethoxycyclohexyl)ethanol
CID 116753633
2-(2,3-dichlorophenyl)-1-(1-ethoxycyclohexyl)ethanol
CID 107308277
1-(1-ethoxycyclopentyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 116762402
2-(2-bromo-3-fluorophenyl)-1-(1-ethoxycycloheptyl)ethanol
CID 116756150
2-(5-ethylthiophen-2-yl)-1-(1-methoxycycloheptyl)ethanol
CID 116755831
1-(1-ethoxycycloheptyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107048191
2-(2,4-dichlorophenyl)-1-(1-ethoxycyclohexyl)ethanol
CID 116753637
1-(1-ethoxycycloheptyl)butan-1-ol
CID 116756084
1-(1-methylcyclohexyl)-3-thiophen-2-ylpropan-1-ol
CID 106830888

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycycloheptyl)-2-thiophen-2-ylethanol?
The IUPAC name of 1-(1-ethoxycycloheptyl)-2-thiophen-2-ylethanol (CID 116756164) is 1-(1-ethoxycycloheptyl)-2-thiophen-2-ylethanol.
What is the SMILES notation for 1-(1-ethoxycycloheptyl)-2-thiophen-2-ylethanol?
The canonical SMILES for 1-(1-ethoxycycloheptyl)-2-thiophen-2-ylethanol is CCOC1(C(O)Cc2cccs2)CCCCCC1.
What is the InChIKey of 1-(1-ethoxycycloheptyl)-2-thiophen-2-ylethanol?
The InChIKey is WIZDNKJAQXCYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2S/c1-2-17-15(9-5-3-4-6-10-15)14(16)12-13-8-7-11-18-13/h7-8,11,14,16H,2-6,9-10,12H2,1H3.
What are the key properties of 1-(1-ethoxycycloheptyl)-2-thiophen-2-ylethanol?
1-(1-ethoxycycloheptyl)-2-thiophen-2-ylethanol has a molecular weight of 268.42 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycycloheptyl)-2-thiophen-2-ylethanol is sourced from PubChem (CID 116756164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).