1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclobutylethanol

C10H12BrClOS — CID 103165500

IUPAC1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclobutylethanol
SMILESOC(CC1CCC1)c1cc(Cl)c(Br)s1
InChIInChI=1S/C10H12BrClOS/c11-10-7(12)5-9(14-10)8(13)4-6-2-1-3-6/h5-6,8,13H,1-4H2
InChIKeyNBBOWWKNDWUJRO-UHFFFAOYSA-N
MW295.63 g/mol
LogP4.39
Rot. Bonds3

About 1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclobutylethanol

1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclobutylethanol (PubChem CID 103165500) has the molecular formula C10H12BrClOS and a molecular weight of 295.63 g/mol. Its IUPAC name is 1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclobutylethanol.

Molecular Properties

Compound Name1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclobutylethanol
PubChem CID103165500
Molecular FormulaC10H12BrClOS
Molecular Weight295.63 g/mol
Exact Mass293.95
IUPAC Name1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclobutylethanol
SMILESOC(CC1CCC1)c1cc(Cl)c(Br)s1
InChIInChI=1S/C10H12BrClOS/c11-10-7(12)5-9(14-10)8(13)4-6-2-1-3-6/h5-6,8,13H,1-4H2
InChIKeyNBBOWWKNDWUJRO-UHFFFAOYSA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.63
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-5-chlorothiophen-2-yl)-2-cyclobutylethanol
CID 103165549
1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentylethanamine
CID 80530689
(5-bromo-4-chlorothiophen-2-yl)-cyclooctylmethanol
CID 80532299
2-bromo-5-(1-bromo-2-cyclopropylethyl)-3-chlorothiophene
CID 80533267
1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentyl-N-methylethanamine
CID 80531325
N-[1-(5-bromo-4-chlorothiophen-2-yl)-2-cycloheptylethyl]propan-1-amine
CID 114457743
1-(5-bromo-4-chlorothiophen-2-yl)-4-methylpentan-1-ol
CID 80532143
(5-bromo-4-chlorothiophen-2-yl)-(oxan-3-yl)methanol
CID 80532330
1-(1-benzothiophen-2-yl)-2-cyclobutylethanol
CID 115802429
1-(5-bromo-4-chlorothiophen-2-yl)-3-methylpentan-1-ol
CID 114875966
1-(5-bromo-4-chlorothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanol
CID 80531983
1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopropyl-N-propylpropan-1-amine
CID 83155187

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclobutylethanol?
The IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclobutylethanol (CID 103165500) is 1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclobutylethanol.
What is the SMILES notation for 1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclobutylethanol?
The canonical SMILES for 1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclobutylethanol is OC(CC1CCC1)c1cc(Cl)c(Br)s1.
What is the InChIKey of 1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclobutylethanol?
The InChIKey is NBBOWWKNDWUJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClOS/c11-10-7(12)5-9(14-10)8(13)4-6-2-1-3-6/h5-6,8,13H,1-4H2.
What are the key properties of 1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclobutylethanol?
1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclobutylethanol has a molecular weight of 295.63 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclobutylethanol is sourced from PubChem (CID 103165500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).