1-(4-bromothiophen-2-yl)-2-cyclopropylbutan-2-ol

C11H15BrOS — CID 65153708

IUPAC1-(4-bromothiophen-2-yl)-2-cyclopropylbutan-2-ol
SMILESCCC(O)(Cc1cc(Br)cs1)C1CC1
InChIInChI=1S/C11H15BrOS/c1-2-11(13,8-3-4-8)6-10-5-9(12)7-14-10/h5,7-8,13H,2-4,6H2,1H3
InChIKeyCTAIJWJBOFGXBE-UHFFFAOYSA-N
MW275.21 g/mol
LogP3.60
Rot. Bonds4

About 1-(4-bromothiophen-2-yl)-2-cyclopropylbutan-2-ol

1-(4-bromothiophen-2-yl)-2-cyclopropylbutan-2-ol (PubChem CID 65153708) has the molecular formula C11H15BrOS and a molecular weight of 275.21 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-2-cyclopropylbutan-2-ol.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-2-cyclopropylbutan-2-ol
PubChem CID65153708
Molecular FormulaC11H15BrOS
Molecular Weight275.21 g/mol
Exact Mass274.00
IUPAC Name1-(4-bromothiophen-2-yl)-2-cyclopropylbutan-2-ol
SMILESCCC(O)(Cc1cc(Br)cs1)C1CC1
InChIInChI=1S/C11H15BrOS/c1-2-11(13,8-3-4-8)6-10-5-9(12)7-14-10/h5,7-8,13H,2-4,6H2,1H3
InChIKeyCTAIJWJBOFGXBE-UHFFFAOYSA-N
XLogP3.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromothiophen-2-yl)-2-cyclopropyl-2-methylpropanoic acid
CID 83148913
2-[(4-bromothiophen-2-yl)methylamino]-2-cyclopropylpropan-1-ol
CID 115685147
2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]butan-1-ol
CID 106508330
1-(4-bromothiophen-2-yl)-4-methoxy-2-methylbutan-2-ol
CID 65146600
2-(4-bromothiophen-2-yl)-1-(4-butylcyclohexyl)ethanone
CID 114969376
2-[(4-bromothiophen-2-yl)methyl]-2-ethylhexanoic acid
CID 63402781
1-[(4-bromothiophen-2-yl)methyl]-3-ethylpiperidin-4-ol
CID 114510889
(4-bromothiophen-2-yl)methanol;ethane
CID 163225247
1-(4-bromothiophen-2-yl)-2-(3,4-dimethylphenyl)propan-2-ol
CID 65146285
3-(4-bromothiophen-2-yl)pentan-3-ol
CID 58599650
2-(4-bromothiophen-2-yl)-1-(2-methylcyclopentyl)ethanol
CID 107192192
2-(4-bromothiophen-2-yl)-1-cycloheptylethanone
CID 65399690

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-2-cyclopropylbutan-2-ol?
The IUPAC name of 1-(4-bromothiophen-2-yl)-2-cyclopropylbutan-2-ol (CID 65153708) is 1-(4-bromothiophen-2-yl)-2-cyclopropylbutan-2-ol.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-2-cyclopropylbutan-2-ol?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-2-cyclopropylbutan-2-ol is CCC(O)(Cc1cc(Br)cs1)C1CC1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-2-cyclopropylbutan-2-ol?
The InChIKey is CTAIJWJBOFGXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrOS/c1-2-11(13,8-3-4-8)6-10-5-9(12)7-14-10/h5,7-8,13H,2-4,6H2,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-2-cyclopropylbutan-2-ol?
1-(4-bromothiophen-2-yl)-2-cyclopropylbutan-2-ol has a molecular weight of 275.21 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-2-cyclopropylbutan-2-ol is sourced from PubChem (CID 65153708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).