2-(5-ethylthiophen-2-yl)-1-(1-methoxycycloheptyl)ethanol

C16H26O2S — CID 116755831

IUPAC2-(5-ethylthiophen-2-yl)-1-(1-methoxycycloheptyl)ethanol
SMILESCCc1ccc(CC(O)C2(OC)CCCCCC2)s1
InChIInChI=1S/C16H26O2S/c1-3-13-8-9-14(19-13)12-15(17)16(18-2)10-6-4-5-7-11-16/h8-9,15,17H,3-7,10-12H2,1-2H3
InChIKeyMRLVWTCMQCRNLU-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.95
Rot. Bonds5

About 2-(5-ethylthiophen-2-yl)-1-(1-methoxycycloheptyl)ethanol

2-(5-ethylthiophen-2-yl)-1-(1-methoxycycloheptyl)ethanol (PubChem CID 116755831) has the molecular formula C16H26O2S and a molecular weight of 282.45 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-1-(1-methoxycycloheptyl)ethanol.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-1-(1-methoxycycloheptyl)ethanol
PubChem CID116755831
Molecular FormulaC16H26O2S
Molecular Weight282.45 g/mol
Exact Mass282.17
IUPAC Name2-(5-ethylthiophen-2-yl)-1-(1-methoxycycloheptyl)ethanol
SMILESCCc1ccc(CC(O)C2(OC)CCCCCC2)s1
InChIInChI=1S/C16H26O2S/c1-3-13-8-9-14(19-13)12-15(17)16(18-2)10-6-4-5-7-11-16/h8-9,15,17H,3-7,10-12H2,1-2H3
InChIKeyMRLVWTCMQCRNLU-UHFFFAOYSA-N
XLogP3.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-ethylthiophen-2-yl)-1-(1-methoxycycloheptyl)ethanol 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-methoxycyclopentyl)ethanol
CID 104610489
2-(2,3-dichlorophenyl)-1-(1-methoxycycloheptyl)ethanol
CID 107308285
[1-(1-ethoxycyclohexyl)-2-(5-ethylthiophen-2-yl)ethyl]hydrazine
CID 105276332
1-(1-ethoxycycloheptyl)-2-thiophen-2-ylethanol
CID 116756164
2-[[1-(bromomethyl)cyclohexyl]methyl]-5-ethylthiophene
CID 66049979
2-(4-fluorophenyl)-1-(1-methoxycyclopentyl)ethanol
CID 104610295
2-(4-bromothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanol
CID 116710510
2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclohexyl)ethanol
CID 116753489
1-(1-methoxycyclobutyl)-2-phenylethanol
CID 116710482
2-(3,4-difluorophenyl)-1-(1-methoxycycloheptyl)ethanol
CID 116755817

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(1-methoxycycloheptyl)ethanol?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(1-methoxycycloheptyl)ethanol (CID 116755831) is 2-(5-ethylthiophen-2-yl)-1-(1-methoxycycloheptyl)ethanol.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-1-(1-methoxycycloheptyl)ethanol?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-1-(1-methoxycycloheptyl)ethanol is CCc1ccc(CC(O)C2(OC)CCCCCC2)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-1-(1-methoxycycloheptyl)ethanol?
The InChIKey is MRLVWTCMQCRNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2S/c1-3-13-8-9-14(19-13)12-15(17)16(18-2)10-6-4-5-7-11-16/h8-9,15,17H,3-7,10-12H2,1-2H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)-1-(1-methoxycycloheptyl)ethanol?
2-(5-ethylthiophen-2-yl)-1-(1-methoxycycloheptyl)ethanol has a molecular weight of 282.45 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-1-(1-methoxycycloheptyl)ethanol is sourced from PubChem (CID 116755831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).