1-(5-chlorothiophen-2-yl)-2-(1-methoxycyclobutyl)ethanol

C11H15ClO2S — CID 103557536

IUPAC1-(5-chlorothiophen-2-yl)-2-(1-methoxycyclobutyl)ethanol
SMILESCOC1(CC(O)c2ccc(Cl)s2)CCC1
InChIInChI=1S/C11H15ClO2S/c1-14-11(5-2-6-11)7-8(13)9-3-4-10(12)15-9/h3-4,8,13H,2,5-7H2,1H3
InChIKeyPDCOEOCEQPCTCH-UHFFFAOYSA-N
MW246.76 g/mol
LogP3.39
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-2-(1-methoxycyclobutyl)ethanol

1-(5-chlorothiophen-2-yl)-2-(1-methoxycyclobutyl)ethanol (PubChem CID 103557536) has the molecular formula C11H15ClO2S and a molecular weight of 246.76 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(1-methoxycyclobutyl)ethanol.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(1-methoxycyclobutyl)ethanol
PubChem CID103557536
Molecular FormulaC11H15ClO2S
Molecular Weight246.76 g/mol
Exact Mass246.05
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(1-methoxycyclobutyl)ethanol
SMILESCOC1(CC(O)c2ccc(Cl)s2)CCC1
InChIInChI=1S/C11H15ClO2S/c1-14-11(5-2-6-11)7-8(13)9-3-4-10(12)15-9/h3-4,8,13H,2,5-7H2,1H3
InChIKeyPDCOEOCEQPCTCH-UHFFFAOYSA-N
XLogP3.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-3-[(1-methoxycyclobutyl)methyl]urea
CID 110019235
1-(4-chlorophenyl)-2-(1-methoxycyclobutyl)ethanol
CID 103557502
(5-chlorothiophen-2-yl)-(1-ethoxycyclohexyl)methanol
CID 116753583
(1S)-2-chloro-1-(5-chlorothiophen-2-yl)ethanol
CID 83001660
1-(5-chlorothiophen-2-yl)-4-methoxypentan-1-ol
CID 105119672
1-(2,5-dichloro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanol
CID 103557615
2-bromo-5-[1-bromo-2-(1-methoxycyclobutyl)ethyl]thiophene
CID 103557781
2-(1-methoxycyclobutyl)-1-(4-propylphenyl)ethanol
CID 103557531
1-(5-chlorothiophen-2-yl)-2-(methylamino)ethanol
CID 79002149
1-(5-ethylthiophen-2-yl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556111
1-(5-chlorothiophen-2-yl)-4-methoxy-4-methylpentan-1-ol
CID 103028130
1-(3-cyclobutylphenyl)-2-(1-methoxycyclobutyl)ethanol
CID 103560284

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(1-methoxycyclobutyl)ethanol?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(1-methoxycyclobutyl)ethanol (CID 103557536) is 1-(5-chlorothiophen-2-yl)-2-(1-methoxycyclobutyl)ethanol.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(1-methoxycyclobutyl)ethanol?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(1-methoxycyclobutyl)ethanol is COC1(CC(O)c2ccc(Cl)s2)CCC1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(1-methoxycyclobutyl)ethanol?
The InChIKey is PDCOEOCEQPCTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2S/c1-14-11(5-2-6-11)7-8(13)9-3-4-10(12)15-9/h3-4,8,13H,2,5-7H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(1-methoxycyclobutyl)ethanol?
1-(5-chlorothiophen-2-yl)-2-(1-methoxycyclobutyl)ethanol has a molecular weight of 246.76 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-(5-chlorothiophen-2-yl)-2-(1-methoxycyclobutyl)ethanol is sourced from PubChem (CID 103557536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).