(5-chlorothiophen-2-yl)-(1-ethoxycyclohexyl)methanol

C13H19ClO2S — CID 116753583

IUPAC(5-chlorothiophen-2-yl)-(1-ethoxycyclohexyl)methanol
SMILESCCOC1(C(O)c2ccc(Cl)s2)CCCCC1
InChIInChI=1S/C13H19ClO2S/c1-2-16-13(8-4-3-5-9-13)12(15)10-6-7-11(14)17-10/h6-7,12,15H,2-5,8-9H2,1H3
InChIKeyVBJSQKUHQSHMGX-UHFFFAOYSA-N
MW274.81 g/mol
LogP4.17
Rot. Bonds4

About (5-chlorothiophen-2-yl)-(1-ethoxycyclohexyl)methanol

(5-chlorothiophen-2-yl)-(1-ethoxycyclohexyl)methanol (PubChem CID 116753583) has the molecular formula C13H19ClO2S and a molecular weight of 274.81 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(1-ethoxycyclohexyl)methanol.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(1-ethoxycyclohexyl)methanol
PubChem CID116753583
Molecular FormulaC13H19ClO2S
Molecular Weight274.81 g/mol
Exact Mass274.08
IUPAC Name(5-chlorothiophen-2-yl)-(1-ethoxycyclohexyl)methanol
SMILESCCOC1(C(O)c2ccc(Cl)s2)CCCCC1
InChIInChI=1S/C13H19ClO2S/c1-2-16-13(8-4-3-5-9-13)12(15)10-6-7-11(14)17-10/h6-7,12,15H,2-5,8-9H2,1H3
InChIKeyVBJSQKUHQSHMGX-UHFFFAOYSA-N
XLogP4.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.81
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorothiophen-2-yl)-(1-ethoxycycloheptyl)methyl]ethanamine
CID 116771030
2-(5-chlorothiophen-2-yl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine
CID 116764052
[(5-chlorothiophen-2-yl)-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]hydrazine
CID 105277901
2-(5-chlorothiophen-2-yl)-1-(1-ethoxycyclohexyl)-N-methylethanamine
CID 116763846
[(5-chlorothiophen-2-yl)-(4-ethoxyoxan-4-yl)methyl]hydrazine
CID 105276892
[1-(aminomethyl)cyclopentyl]-(5-chlorothiophen-2-yl)methanol
CID 79137693
(2-chloro-5-fluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 105394608
(4-chloro-2-fluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 116753618
(1-ethoxycyclopentyl)-(4-methylphenyl)methanol
CID 116753072
1-(5-chlorothiophen-2-yl)-2-(1-methoxycyclobutyl)ethanol
CID 103557536
(1-ethoxycyclopentyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782895
(3,5-dimethylphenyl)-(1-ethoxycycloheptyl)methanol
CID 116756160

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(1-ethoxycyclohexyl)methanol?
The IUPAC name of (5-chlorothiophen-2-yl)-(1-ethoxycyclohexyl)methanol (CID 116753583) is (5-chlorothiophen-2-yl)-(1-ethoxycyclohexyl)methanol.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(1-ethoxycyclohexyl)methanol?
The canonical SMILES for (5-chlorothiophen-2-yl)-(1-ethoxycyclohexyl)methanol is CCOC1(C(O)c2ccc(Cl)s2)CCCCC1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(1-ethoxycyclohexyl)methanol?
The InChIKey is VBJSQKUHQSHMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO2S/c1-2-16-13(8-4-3-5-9-13)12(15)10-6-7-11(14)17-10/h6-7,12,15H,2-5,8-9H2,1H3.
What are the key properties of (5-chlorothiophen-2-yl)-(1-ethoxycyclohexyl)methanol?
(5-chlorothiophen-2-yl)-(1-ethoxycyclohexyl)methanol has a molecular weight of 274.81 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(1-ethoxycyclohexyl)methanol is sourced from PubChem (CID 116753583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).