1-(5-bromothiophen-2-yl)-3-methoxy-3-methylbutan-2-ol

C10H15BrO2S — CID 79198455

IUPAC1-(5-bromothiophen-2-yl)-3-methoxy-3-methylbutan-2-ol
SMILESCOC(C)(C)C(O)Cc1ccc(Br)s1
InChIInChI=1S/C10H15BrO2S/c1-10(2,13-3)8(12)6-7-4-5-9(11)14-7/h4-5,8,12H,6H2,1-3H3
InChIKeyWQMALFHPWZUALZ-UHFFFAOYSA-N
MW279.20 g/mol
LogP2.84
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-3-methoxy-3-methylbutan-2-ol

1-(5-bromothiophen-2-yl)-3-methoxy-3-methylbutan-2-ol (PubChem CID 79198455) has the molecular formula C10H15BrO2S and a molecular weight of 279.20 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-3-methoxy-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-3-methoxy-3-methylbutan-2-ol
PubChem CID79198455
Molecular FormulaC10H15BrO2S
Molecular Weight279.20 g/mol
Exact Mass278.00
IUPAC Name1-(5-bromothiophen-2-yl)-3-methoxy-3-methylbutan-2-ol
SMILESCOC(C)(C)C(O)Cc1ccc(Br)s1
InChIInChI=1S/C10H15BrO2S/c1-10(2,13-3)8(12)6-7-4-5-9(11)14-7/h4-5,8,12H,6H2,1-3H3
InChIKeyWQMALFHPWZUALZ-UHFFFAOYSA-N
XLogP2.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.20
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(5-bromothiophen-2-yl)-3-(diethylamino)-3-ethylpentan-2-ol
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1-(5-bromothiophen-2-yl)-3-methylpentan-2-ol
CID 63718703
2-bromo-5-(3-chloro-2-methylpropyl)thiophene
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1-(5-bromothiophen-2-yl)-4-(2-methoxyethoxy)butan-2-ol
CID 102927721
2-(5-bromothiophen-2-yl)-1-(3-methoxythiophen-2-yl)ethanol
CID 115785760
4-(5-bromothiophen-2-yl)-3-methylbutan-2-one
CID 60997090
[1-(5-bromothiophen-2-yl)-3,3-dimethylbutan-2-yl]hydrazine
CID 105202918
1-(5-bromothiophen-2-yl)-4-ethylhexane-2,3-diol
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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-3-methoxy-3-methylbutan-2-ol?
The IUPAC name of 1-(5-bromothiophen-2-yl)-3-methoxy-3-methylbutan-2-ol (CID 79198455) is 1-(5-bromothiophen-2-yl)-3-methoxy-3-methylbutan-2-ol.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-3-methoxy-3-methylbutan-2-ol?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-3-methoxy-3-methylbutan-2-ol is COC(C)(C)C(O)Cc1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-3-methoxy-3-methylbutan-2-ol?
The InChIKey is WQMALFHPWZUALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrO2S/c1-10(2,13-3)8(12)6-7-4-5-9(11)14-7/h4-5,8,12H,6H2,1-3H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-3-methoxy-3-methylbutan-2-ol?
1-(5-bromothiophen-2-yl)-3-methoxy-3-methylbutan-2-ol has a molecular weight of 279.20 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-3-methoxy-3-methylbutan-2-ol is sourced from PubChem (CID 79198455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).