1-(5-bromothiophen-2-yl)-2-(1-methylcyclobutyl)ethanol

C11H15BrOS — CID 130601456

IUPAC1-(5-bromothiophen-2-yl)-2-(1-methylcyclobutyl)ethanol
SMILESCC1(CC(O)c2ccc(Br)s2)CCC1
InChIInChI=1S/C11H15BrOS/c1-11(5-2-6-11)7-8(13)9-3-4-10(12)14-9/h3-4,8,13H,2,5-7H2,1H3
InChIKeyVONBYKBESKARAK-UHFFFAOYSA-N
MW275.21 g/mol
LogP4.12
Rot. Bonds3

About 1-(5-bromothiophen-2-yl)-2-(1-methylcyclobutyl)ethanol

1-(5-bromothiophen-2-yl)-2-(1-methylcyclobutyl)ethanol (PubChem CID 130601456) has the molecular formula C11H15BrOS and a molecular weight of 275.21 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-(1-methylcyclobutyl)ethanol.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-(1-methylcyclobutyl)ethanol
PubChem CID130601456
Molecular FormulaC11H15BrOS
Molecular Weight275.21 g/mol
Exact Mass274.00
IUPAC Name1-(5-bromothiophen-2-yl)-2-(1-methylcyclobutyl)ethanol
SMILESCC1(CC(O)c2ccc(Br)s2)CCC1
InChIInChI=1S/C11H15BrOS/c1-11(5-2-6-11)7-8(13)9-3-4-10(12)14-9/h3-4,8,13H,2,5-7H2,1H3
InChIKeyVONBYKBESKARAK-UHFFFAOYSA-N
XLogP4.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromothiophen-2-yl)-2-(3,5-dimethyl-1-adamantyl)ethanol
CID 79988970
2-bromo-5-[1-bromo-2-(1-methoxycyclobutyl)ethyl]thiophene
CID 103557781
1-(5-bromothiophen-2-yl)-2-(4-fluorophenyl)ethanol
CID 61080789
(1-aminocyclopropyl)-(5-bromothiophen-2-yl)methanol
CID 116836152
1-(5-chlorothiophen-2-yl)-2-(1-methoxycyclobutyl)ethanol
CID 103557536
2-(1-methylcyclobutyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 130602082
1-(5-bromothiophen-2-yl)-3-(diethylamino)propan-1-ol
CID 82074242
2-(1-methylcyclobutyl)-1-pyrimidin-2-ylethanol
CID 130601446
2-(5-bromothiophen-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
CID 63216262
1-(5-bromothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 114346774
1-(5-bromothiophen-2-yl)-2-ethylbutan-1-ol
CID 61081920
1-[(5-bromothiophen-2-yl)-(methylamino)methyl]cyclopropan-1-amine
CID 116961189

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-(1-methylcyclobutyl)ethanol?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-(1-methylcyclobutyl)ethanol (CID 130601456) is 1-(5-bromothiophen-2-yl)-2-(1-methylcyclobutyl)ethanol.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-(1-methylcyclobutyl)ethanol?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-(1-methylcyclobutyl)ethanol is CC1(CC(O)c2ccc(Br)s2)CCC1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-(1-methylcyclobutyl)ethanol?
The InChIKey is VONBYKBESKARAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrOS/c1-11(5-2-6-11)7-8(13)9-3-4-10(12)14-9/h3-4,8,13H,2,5-7H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-(1-methylcyclobutyl)ethanol?
1-(5-bromothiophen-2-yl)-2-(1-methylcyclobutyl)ethanol has a molecular weight of 275.21 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-(1-methylcyclobutyl)ethanol is sourced from PubChem (CID 130601456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).