1-(3-chlorothiophen-2-yl)-2,2-dimethylbutan-1-ol

C10H15ClOS — CID 80530613

IUPAC1-(3-chlorothiophen-2-yl)-2,2-dimethylbutan-1-ol
SMILESCCC(C)(C)C(O)c1sccc1Cl
InChIInChI=1S/C10H15ClOS/c1-4-10(2,3)9(12)8-7(11)5-6-13-8/h5-6,9,12H,4H2,1-3H3
InChIKeySEIIMFNDGQZCPY-UHFFFAOYSA-N
MW218.75 g/mol
LogP3.87
Rot. Bonds3

About 1-(3-chlorothiophen-2-yl)-2,2-dimethylbutan-1-ol

1-(3-chlorothiophen-2-yl)-2,2-dimethylbutan-1-ol (PubChem CID 80530613) has the molecular formula C10H15ClOS and a molecular weight of 218.75 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-2,2-dimethylbutan-1-ol.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-2,2-dimethylbutan-1-ol
PubChem CID80530613
Molecular FormulaC10H15ClOS
Molecular Weight218.75 g/mol
Exact Mass218.05
IUPAC Name1-(3-chlorothiophen-2-yl)-2,2-dimethylbutan-1-ol
SMILESCCC(C)(C)C(O)c1sccc1Cl
InChIInChI=1S/C10H15ClOS/c1-4-10(2,3)9(12)8-7(11)5-6-13-8/h5-6,9,12H,4H2,1-3H3
InChIKeySEIIMFNDGQZCPY-UHFFFAOYSA-N
XLogP3.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.75
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorothiophen-2-yl)-2-(dimethylamino)-2-methylbutan-1-ol
CID 107359559
3-chloro-2-(1-chloro-2,2-dimethylbutyl)thiophene
CID 80530259
1-(3-chlorothiophen-2-yl)-2,2-difluoropropan-1-ol
CID 130701576
(1R)-1-(3-chlorothiophen-2-yl)-2,2,2-trifluoroethanol
CID 107359618
1-(3-chlorothiophen-2-yl)-3,3-difluorobutan-1-ol
CID 131081703
(3-chlorothiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 80641514
bis(3-chlorothiophen-2-yl)methanol
CID 80642135
1-(3-chlorothiophen-2-yl)-2-ethoxy-3,3-dimethylbutan-1-ol
CID 107359632
2,2-dimethyl-1-thiophen-2-ylbutan-1-ol
CID 62677118
1-(3-chlorothiophen-2-yl)hexan-1-ol
CID 80530393
1-(3-chlorothiophen-2-yl)tridecan-1-ol
CID 115789521
(2-chloro-4,5-diethoxyphenyl)-(3-chlorothiophen-2-yl)methanol
CID 80644143

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-2,2-dimethylbutan-1-ol?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-2,2-dimethylbutan-1-ol (CID 80530613) is 1-(3-chlorothiophen-2-yl)-2,2-dimethylbutan-1-ol.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-2,2-dimethylbutan-1-ol?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-2,2-dimethylbutan-1-ol is CCC(C)(C)C(O)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-2,2-dimethylbutan-1-ol?
The InChIKey is SEIIMFNDGQZCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClOS/c1-4-10(2,3)9(12)8-7(11)5-6-13-8/h5-6,9,12H,4H2,1-3H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-2,2-dimethylbutan-1-ol?
1-(3-chlorothiophen-2-yl)-2,2-dimethylbutan-1-ol has a molecular weight of 218.75 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-2,2-dimethylbutan-1-ol is sourced from PubChem (CID 80530613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).