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

C10H15BrO2S — CID 79197988

IUPAC1-(3-bromothiophen-2-yl)-3-methoxy-3-methylbutan-2-ol
SMILESCOC(C)(C)C(O)Cc1sccc1Br
InChIInChI=1S/C10H15BrO2S/c1-10(2,13-3)9(12)6-8-7(11)4-5-14-8/h4-5,9,12H,6H2,1-3H3
InChIKeyUXSBIRJAQTVYPB-UHFFFAOYSA-N
MW279.20 g/mol
LogP2.84
Rot. Bonds4

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

1-(3-bromothiophen-2-yl)-3-methoxy-3-methylbutan-2-ol (PubChem CID 79197988) has the molecular formula C10H15BrO2S and a molecular weight of 279.20 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-3-methoxy-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-3-methoxy-3-methylbutan-2-ol
PubChem CID79197988
Molecular FormulaC10H15BrO2S
Molecular Weight279.20 g/mol
Exact Mass278.00
IUPAC Name1-(3-bromothiophen-2-yl)-3-methoxy-3-methylbutan-2-ol
SMILESCOC(C)(C)C(O)Cc1sccc1Br
InChIInChI=1S/C10H15BrO2S/c1-10(2,13-3)9(12)6-8-7(11)4-5-14-8/h4-5,9,12H,6H2,1-3H3
InChIKeyUXSBIRJAQTVYPB-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-methoxy-3-methylbutan-2-ol
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CID 105274525
3-bromo-2-[2-(chloromethyl)-3-methylbutyl]thiophene
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CID 116757961
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CID 103312488

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-3-methoxy-3-methylbutan-2-ol?
The IUPAC name of 1-(3-bromothiophen-2-yl)-3-methoxy-3-methylbutan-2-ol (CID 79197988) is 1-(3-bromothiophen-2-yl)-3-methoxy-3-methylbutan-2-ol.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-3-methoxy-3-methylbutan-2-ol?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-3-methoxy-3-methylbutan-2-ol is COC(C)(C)C(O)Cc1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-3-methoxy-3-methylbutan-2-ol?
The InChIKey is UXSBIRJAQTVYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrO2S/c1-10(2,13-3)9(12)6-8-7(11)4-5-14-8/h4-5,9,12H,6H2,1-3H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-3-methoxy-3-methylbutan-2-ol?
1-(3-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-(3-bromothiophen-2-yl)-3-methoxy-3-methylbutan-2-ol is sourced from PubChem (CID 79197988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).