1-(5-bromothiophen-2-yl)-4,4-dimethylpentan-2-ol

C11H17BrOS — CID 63890851

IUPAC1-(5-bromothiophen-2-yl)-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)Cc1ccc(Br)s1
InChIInChI=1S/C11H17BrOS/c1-11(2,3)7-8(13)6-9-4-5-10(12)14-9/h4-5,8,13H,6-7H2,1-3H3
InChIKeySMBZYJZLDLSDFN-UHFFFAOYSA-N
MW277.23 g/mol
LogP3.85
Rot. Bonds3

About 1-(5-bromothiophen-2-yl)-4,4-dimethylpentan-2-ol

1-(5-bromothiophen-2-yl)-4,4-dimethylpentan-2-ol (PubChem CID 63890851) has the molecular formula C11H17BrOS and a molecular weight of 277.23 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-4,4-dimethylpentan-2-ol
PubChem CID63890851
Molecular FormulaC11H17BrOS
Molecular Weight277.23 g/mol
Exact Mass276.02
IUPAC Name1-(5-bromothiophen-2-yl)-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)Cc1ccc(Br)s1
InChIInChI=1S/C11H17BrOS/c1-11(2,3)7-8(13)6-9-4-5-10(12)14-9/h4-5,8,13H,6-7H2,1-3H3
InChIKeySMBZYJZLDLSDFN-UHFFFAOYSA-N
XLogP3.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-tert-butylsulfanylpropan-2-ol
CID 65132423
1-(5-bromothiophen-2-yl)-N-ethyl-4,4-dimethylpentan-2-amine
CID 63891302
1-(5-bromothiophen-2-yl)-3-methoxy-3-methylbutan-2-ol
CID 79198455
1-(5-bromothiophen-2-yl)-4-methylsulfanylbutan-2-ol
CID 65149397
[1-(5-bromothiophen-2-yl)-3,3-dimethylbutan-2-yl]hydrazine
CID 105202918
1-(5-bromothiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 103216730
1-(5-bromothiophen-2-yl)-4-(2-methoxyethoxy)butan-2-ol
CID 102927721
1-(5-bromothiophen-2-yl)-3-methylpentan-2-ol
CID 63718703
4-(5-bromothiophen-2-yl)-3-methylbutan-2-one
CID 60997090
1-(5-bromothiophen-2-yl)-4-ethylhexane-2,3-diol
CID 103459887
2-(5-bromothiophen-2-yl)-1-thiophen-2-ylethanol
CID 62607214
1-(5-bromothiophen-2-yl)-3-(diethylamino)-3-ethylpentan-2-ol
CID 79061202

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-(5-bromothiophen-2-yl)-4,4-dimethylpentan-2-ol (CID 63890851) is 1-(5-bromothiophen-2-yl)-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-4,4-dimethylpentan-2-ol is CC(C)(C)CC(O)Cc1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-4,4-dimethylpentan-2-ol?
The InChIKey is SMBZYJZLDLSDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrOS/c1-11(2,3)7-8(13)6-9-4-5-10(12)14-9/h4-5,8,13H,6-7H2,1-3H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-4,4-dimethylpentan-2-ol?
1-(5-bromothiophen-2-yl)-4,4-dimethylpentan-2-ol has a molecular weight of 277.23 g/mol, XLogP of 3.85, 3 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)-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 63890851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).