1-(1-methoxycycloheptyl)-2-thiophen-2-ylethanol

C14H22O2S — CID 116755920

IUPAC1-(1-methoxycycloheptyl)-2-thiophen-2-ylethanol
SMILESCOC1(C(O)Cc2cccs2)CCCCCC1
InChIInChI=1S/C14H22O2S/c1-16-14(8-4-2-3-5-9-14)13(15)11-12-7-6-10-17-12/h6-7,10,13,15H,2-5,8-9,11H2,1H3
InChIKeyKKCPFEQRCLGRTD-UHFFFAOYSA-N
MW254.39 g/mol
LogP3.39
Rot. Bonds4

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

1-(1-methoxycycloheptyl)-2-thiophen-2-ylethanol (PubChem CID 116755920) has the molecular formula C14H22O2S and a molecular weight of 254.39 g/mol. Its IUPAC name is 1-(1-methoxycycloheptyl)-2-thiophen-2-ylethanol.

Molecular Properties

Compound Name1-(1-methoxycycloheptyl)-2-thiophen-2-ylethanol
PubChem CID116755920
Molecular FormulaC14H22O2S
Molecular Weight254.39 g/mol
Exact Mass254.13
IUPAC Name1-(1-methoxycycloheptyl)-2-thiophen-2-ylethanol
SMILESCOC1(C(O)Cc2cccs2)CCCCCC1
InChIInChI=1S/C14H22O2S/c1-16-14(8-4-2-3-5-9-14)13(15)11-12-7-6-10-17-12/h6-7,10,13,15H,2-5,8-9,11H2,1H3
InChIKeyKKCPFEQRCLGRTD-UHFFFAOYSA-N
XLogP3.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methoxycyclohexyl)-2-thiophen-2-ylethanol
CID 116753410
1-(1-ethoxycycloheptyl)-2-thiophen-2-ylethanol
CID 116756164
2-(5-ethylthiophen-2-yl)-1-(1-methoxycycloheptyl)ethanol
CID 116755831
2-(4-bromothiophen-2-yl)-1-(1-methoxycyclopentyl)ethanol
CID 104610489
1-(1-methoxycyclopentyl)-2-(1,3-thiazol-2-yl)ethanol
CID 104610440
N-ethyl-1-(1-methoxycyclohexyl)-3-thiophen-2-ylpropan-1-amine
CID 116763172
2-(4-bromothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanol
CID 116710510
1-(1-methoxycyclobutyl)-2-phenylethanol
CID 116710482
2-(2,3-dichlorophenyl)-1-(1-methoxycycloheptyl)ethanol
CID 107308285
1-(1-methylcyclohexyl)-3-thiophen-2-ylpropan-1-ol
CID 106830888
2-(3-bromophenyl)-1-(1-methoxycyclohexyl)ethanol
CID 116753460
2-(4-fluorophenyl)-1-(1-methoxycyclopentyl)ethanol
CID 104610295

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycycloheptyl)-2-thiophen-2-ylethanol?
The IUPAC name of 1-(1-methoxycycloheptyl)-2-thiophen-2-ylethanol (CID 116755920) is 1-(1-methoxycycloheptyl)-2-thiophen-2-ylethanol.
What is the SMILES notation for 1-(1-methoxycycloheptyl)-2-thiophen-2-ylethanol?
The canonical SMILES for 1-(1-methoxycycloheptyl)-2-thiophen-2-ylethanol is COC1(C(O)Cc2cccs2)CCCCCC1.
What is the InChIKey of 1-(1-methoxycycloheptyl)-2-thiophen-2-ylethanol?
The InChIKey is KKCPFEQRCLGRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2S/c1-16-14(8-4-2-3-5-9-14)13(15)11-12-7-6-10-17-12/h6-7,10,13,15H,2-5,8-9,11H2,1H3.
What are the key properties of 1-(1-methoxycycloheptyl)-2-thiophen-2-ylethanol?
1-(1-methoxycycloheptyl)-2-thiophen-2-ylethanol has a molecular weight of 254.39 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycycloheptyl)-2-thiophen-2-ylethanol is sourced from PubChem (CID 116755920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).