1-(5-bromothiophen-2-yl)-2,3-dimethylpentan-2-ol

C11H17BrOS — CID 65146918

IUPAC1-(5-bromothiophen-2-yl)-2,3-dimethylpentan-2-ol
SMILESCCC(C)C(C)(O)Cc1ccc(Br)s1
InChIInChI=1S/C11H17BrOS/c1-4-8(2)11(3,13)7-9-5-6-10(12)14-9/h5-6,8,13H,4,7H2,1-3H3
InChIKeyMNBXZJFLMFRZRD-UHFFFAOYSA-N
MW277.23 g/mol
LogP3.85
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-2,3-dimethylpentan-2-ol

1-(5-bromothiophen-2-yl)-2,3-dimethylpentan-2-ol (PubChem CID 65146918) has the molecular formula C11H17BrOS and a molecular weight of 277.23 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2,3-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2,3-dimethylpentan-2-ol
PubChem CID65146918
Molecular FormulaC11H17BrOS
Molecular Weight277.23 g/mol
Exact Mass276.02
IUPAC Name1-(5-bromothiophen-2-yl)-2,3-dimethylpentan-2-ol
SMILESCCC(C)C(C)(O)Cc1ccc(Br)s1
InChIInChI=1S/C11H17BrOS/c1-4-8(2)11(3,13)7-9-5-6-10(12)14-9/h5-6,8,13H,4,7H2,1-3H3
InChIKeyMNBXZJFLMFRZRD-UHFFFAOYSA-N
XLogP3.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromothiophen-2-yl)-3-methylpentan-2-ol
CID 63718703
4-[1-(5-bromothiophen-2-yl)-2-hydroxypropan-2-yl]phenol
CID 83075163
1-(5-bromothiophen-2-yl)-2-methyl-4-(2-methylpropylamino)butan-2-ol
CID 66002474
1-[(5-bromothiophen-2-yl)methylamino]-2,3-dimethylbutan-2-ol
CID 111118505
3-[(5-bromothiophen-2-yl)methyl]pentan-3-amine
CID 62619965
2-[(5-bromothiophen-2-yl)methyl]-2-methylbutanoic acid
CID 62740253
1-(5-bromothiophen-2-yl)-4-(tert-butylamino)-2-methylbutan-2-ol
CID 66003447
1-(5-bromothiophen-2-yl)-4-ethylhexane-2,3-diol
CID 103459887
3-amino-2-[(5-bromothiophen-2-yl)methyl]-2-methyl-3-oxopropanoic acid
CID 114899923
5-(5-bromothiophen-2-yl)pentane-2,3-diol
CID 83935049
1-(5-bromothiophen-2-yl)-4,5,5-trimethyl-N-propylhexan-2-amine
CID 115841192
1-(5-bromothiophen-2-yl)-2-(4-ethylphenyl)propan-2-amine
CID 62622583

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2,3-dimethylpentan-2-ol?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2,3-dimethylpentan-2-ol (CID 65146918) is 1-(5-bromothiophen-2-yl)-2,3-dimethylpentan-2-ol.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2,3-dimethylpentan-2-ol?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2,3-dimethylpentan-2-ol is CCC(C)C(C)(O)Cc1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2,3-dimethylpentan-2-ol?
The InChIKey is MNBXZJFLMFRZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrOS/c1-4-8(2)11(3,13)7-9-5-6-10(12)14-9/h5-6,8,13H,4,7H2,1-3H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-2,3-dimethylpentan-2-ol?
1-(5-bromothiophen-2-yl)-2,3-dimethylpentan-2-ol has a molecular weight of 277.23 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2,3-dimethylpentan-2-ol is sourced from PubChem (CID 65146918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).