3-(5-chlorothiophen-2-yl)-3-methylbutan-1-ol

C9H13ClOS — CID 79838000

IUPAC3-(5-chlorothiophen-2-yl)-3-methylbutan-1-ol
SMILESCC(C)(CCO)c1ccc(Cl)s1
InChIInChI=1S/C9H13ClOS/c1-9(2,5-6-11)7-3-4-8(10)12-7/h3-4,11H,5-6H2,1-2H3
InChIKeyHOZVDPICVKHVKW-UHFFFAOYSA-N
MW204.72 g/mol
LogP3.06
Rot. Bonds3

About 3-(5-chlorothiophen-2-yl)-3-methylbutan-1-ol

3-(5-chlorothiophen-2-yl)-3-methylbutan-1-ol (PubChem CID 79838000) has the molecular formula C9H13ClOS and a molecular weight of 204.72 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-3-methylbutan-1-ol
PubChem CID79838000
Molecular FormulaC9H13ClOS
Molecular Weight204.72 g/mol
Exact Mass204.04
IUPAC Name3-(5-chlorothiophen-2-yl)-3-methylbutan-1-ol
SMILESCC(C)(CCO)c1ccc(Cl)s1
InChIInChI=1S/C9H13ClOS/c1-9(2,5-6-11)7-3-4-8(10)12-7/h3-4,11H,5-6H2,1-2H3
InChIKeyHOZVDPICVKHVKW-UHFFFAOYSA-N
XLogP3.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.72
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(5-chlorothiophen-2-yl)-2-methylpropyl]amino]ethanol
CID 115216508
N-[3-(5-chlorothiophen-2-yl)-3-methylbutyl]cyclopropanamine
CID 79830033
N'-[2-(5-chlorothiophen-2-yl)-2-methylpropyl]methanediamine
CID 115226362
2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methylpropyl]acetamide
CID 115162258
2-[[2-(5-chlorothiophen-2-yl)-2-methylpropyl]amino]acetamide
CID 115260344
2-chloro-5-(3-methylnonan-3-yl)thiophene
CID 139460547
5-chloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-2-carboxamide
CID 103772360
4-amino-3-(5-chlorothiophen-2-yl)-3,4-dimethylpentanoic acid
CID 66090953
3-(5-chlorothiophen-2-yl)-3,3-difluoro-2,2-dimethylpropan-1-amine
CID 116839634
2-chloro-5-(4-chloro-1,1-dimethoxybutyl)thiophene
CID 98018182
3-methyl-3-(2,3,4,6-tetrachlorophenyl)butan-1-ol
CID 105350487
4-(5-chlorothiophen-2-yl)-2-methylbutan-2-ol
CID 82126271

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-3-methylbutan-1-ol?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-3-methylbutan-1-ol (CID 79838000) is 3-(5-chlorothiophen-2-yl)-3-methylbutan-1-ol.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-3-methylbutan-1-ol?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-3-methylbutan-1-ol is CC(C)(CCO)c1ccc(Cl)s1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-3-methylbutan-1-ol?
The InChIKey is HOZVDPICVKHVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClOS/c1-9(2,5-6-11)7-3-4-8(10)12-7/h3-4,11H,5-6H2,1-2H3.
What are the key properties of 3-(5-chlorothiophen-2-yl)-3-methylbutan-1-ol?
3-(5-chlorothiophen-2-yl)-3-methylbutan-1-ol has a molecular weight of 204.72 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-3-methylbutan-1-ol is sourced from PubChem (CID 79838000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).