3-(5-bromothiophen-2-yl)-2-ethylcyclobutan-1-ol

C10H13BrOS — CID 81416200

IUPAC3-(5-bromothiophen-2-yl)-2-ethylcyclobutan-1-ol
SMILESCCC1C(O)CC1c1ccc(Br)s1
InChIInChI=1S/C10H13BrOS/c1-2-6-7(5-8(6)12)9-3-4-10(11)13-9/h3-4,6-8,12H,2,5H2,1H3
InChIKeyFPWNOWXUGITALV-UHFFFAOYSA-N
MW261.18 g/mol
LogP3.38
Rot. Bonds2

About 3-(5-bromothiophen-2-yl)-2-ethylcyclobutan-1-ol

3-(5-bromothiophen-2-yl)-2-ethylcyclobutan-1-ol (PubChem CID 81416200) has the molecular formula C10H13BrOS and a molecular weight of 261.18 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-2-ethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-2-ethylcyclobutan-1-ol
PubChem CID81416200
Molecular FormulaC10H13BrOS
Molecular Weight261.18 g/mol
Exact Mass259.99
IUPAC Name3-(5-bromothiophen-2-yl)-2-ethylcyclobutan-1-ol
SMILESCCC1C(O)CC1c1ccc(Br)s1
InChIInChI=1S/C10H13BrOS/c1-2-6-7(5-8(6)12)9-3-4-10(11)13-9/h3-4,6-8,12H,2,5H2,1H3
InChIKeyFPWNOWXUGITALV-UHFFFAOYSA-N
XLogP3.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.18
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromothiophen-2-yl)cyclopropan-1-amine;hydrochloride
CID 118432686
3-(5-bromothiophen-2-yl)-2-methyl-N-propylcyclobutan-1-amine
CID 81418012
2-ethyl-3-(2,4,6-trimethylphenyl)cyclobutan-1-ol
CID 81415590
lithium;trans-(1R,2R)-2-(5-bromothiophen-2-yl)cyclopropane-1-carboxylic acid;hydroxide;hydrate
CID 172858770
2-ethyl-3-(5-ethylthiophen-2-yl)cyclobutan-1-amine
CID 81415036
3-(5-bromothiophen-2-yl)-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 81418130
2-chloro-5-(2-ethylcyclopropyl)thiophene
CID 174655040
[2-(5-bromothiophen-2-yl)cyclopropyl]-(cyclopropylmethyl)carbamic acid
CID 122636531
ethyl (6S)-6-(5-bromothiophen-2-yl)-3-cyclopropyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 9086177
cis-(1R,2S)-2-[[(1R,2R)-2-(5-bromothiophen-2-yl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 146106667
4-(5-bromothiophen-2-yl)-3-(2-methylpropyl)piperidine
CID 79321477
5-(5-bromothiophen-2-yl)-1-ethyl-4,5-dihydroimidazol-2-amine
CID 79509949

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)-2-ethylcyclobutan-1-ol?
The IUPAC name of 3-(5-bromothiophen-2-yl)-2-ethylcyclobutan-1-ol (CID 81416200) is 3-(5-bromothiophen-2-yl)-2-ethylcyclobutan-1-ol.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-2-ethylcyclobutan-1-ol?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-2-ethylcyclobutan-1-ol is CCC1C(O)CC1c1ccc(Br)s1.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-2-ethylcyclobutan-1-ol?
The InChIKey is FPWNOWXUGITALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrOS/c1-2-6-7(5-8(6)12)9-3-4-10(11)13-9/h3-4,6-8,12H,2,5H2,1H3.
What are the key properties of 3-(5-bromothiophen-2-yl)-2-ethylcyclobutan-1-ol?
3-(5-bromothiophen-2-yl)-2-ethylcyclobutan-1-ol has a molecular weight of 261.18 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)-2-ethylcyclobutan-1-ol is sourced from PubChem (CID 81416200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).