1-(5-bromothiophen-2-yl)-3-methylpentan-2-ol

C10H15BrOS — CID 63718703

IUPAC1-(5-bromothiophen-2-yl)-3-methylpentan-2-ol
SMILESCCC(C)C(O)Cc1ccc(Br)s1
InChIInChI=1S/C10H15BrOS/c1-3-7(2)9(12)6-8-4-5-10(11)13-8/h4-5,7,9,12H,3,6H2,1-2H3
InChIKeyXSQIYUJFYSQJJH-UHFFFAOYSA-N
MW263.20 g/mol
LogP3.46
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-3-methylpentan-2-ol

1-(5-bromothiophen-2-yl)-3-methylpentan-2-ol (PubChem CID 63718703) has the molecular formula C10H15BrOS and a molecular weight of 263.20 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-3-methylpentan-2-ol.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-3-methylpentan-2-ol
PubChem CID63718703
Molecular FormulaC10H15BrOS
Molecular Weight263.20 g/mol
Exact Mass262.00
IUPAC Name1-(5-bromothiophen-2-yl)-3-methylpentan-2-ol
SMILESCCC(C)C(O)Cc1ccc(Br)s1
InChIInChI=1S/C10H15BrOS/c1-3-7(2)9(12)6-8-4-5-10(11)13-8/h4-5,7,9,12H,3,6H2,1-2H3
InChIKeyXSQIYUJFYSQJJH-UHFFFAOYSA-N
XLogP3.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.20
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromothiophen-2-yl)-4-ethylhexane-2,3-diol
CID 103459887
1-(5-bromothiophen-2-yl)butan-2-amine
CID 43565983
1-(5-bromothiophen-2-yl)-2-methylbutan-1-ol
CID 61081527
4-(5-bromothiophen-2-yl)-3-methylbutan-2-one
CID 60997090
2-bromo-5-(3-chloro-2-methylpropyl)thiophene
CID 66036533
2-[1-(5-bromothiophen-2-yl)propan-2-yl]propane-1,3-diamine
CID 83934966
5-(5-bromothiophen-2-yl)pentane-2,3-diol
CID 83935049
1-(5-bromothiophen-2-yl)-2,3-dimethylpentan-2-ol
CID 65146918
1-(5-bromothiophen-2-yl)-3-methoxy-3-methylbutan-2-ol
CID 79198455
1-(5-bromothiophen-2-yl)-N-methylpropan-2-amine
CID 62602112
1-(5-bromothiophen-2-yl)-4,4-dimethylpentan-2-ol
CID 63890851
1-(5-bromothiophen-2-yl)-3-methoxypentan-2-amine
CID 116715037

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-3-methylpentan-2-ol?
The IUPAC name of 1-(5-bromothiophen-2-yl)-3-methylpentan-2-ol (CID 63718703) is 1-(5-bromothiophen-2-yl)-3-methylpentan-2-ol.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-3-methylpentan-2-ol?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-3-methylpentan-2-ol is CCC(C)C(O)Cc1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-3-methylpentan-2-ol?
The InChIKey is XSQIYUJFYSQJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrOS/c1-3-7(2)9(12)6-8-4-5-10(11)13-8/h4-5,7,9,12H,3,6H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-3-methylpentan-2-ol?
1-(5-bromothiophen-2-yl)-3-methylpentan-2-ol has a molecular weight of 263.20 g/mol, XLogP of 3.46, 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)-3-methylpentan-2-ol is sourced from PubChem (CID 63718703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).