3-(5-chlorothiophen-2-yl)-2,2-dimethylpropan-1-ol

C9H13ClOS — CID 66025156

IUPAC3-(5-chlorothiophen-2-yl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)Cc1ccc(Cl)s1
InChIInChI=1S/C9H13ClOS/c1-9(2,6-11)5-7-3-4-8(10)12-7/h3-4,11H,5-6H2,1-2H3
InChIKeyXIDMJJNIBYIEAZ-UHFFFAOYSA-N
MW204.72 g/mol
LogP2.96
Rot. Bonds3

About 3-(5-chlorothiophen-2-yl)-2,2-dimethylpropan-1-ol

3-(5-chlorothiophen-2-yl)-2,2-dimethylpropan-1-ol (PubChem CID 66025156) has the molecular formula C9H13ClOS and a molecular weight of 204.72 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-2,2-dimethylpropan-1-ol
PubChem CID66025156
Molecular FormulaC9H13ClOS
Molecular Weight204.72 g/mol
Exact Mass204.04
IUPAC Name3-(5-chlorothiophen-2-yl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)Cc1ccc(Cl)s1
InChIInChI=1S/C9H13ClOS/c1-9(2,6-11)5-7-3-4-8(10)12-7/h3-4,11H,5-6H2,1-2H3
InChIKeyXIDMJJNIBYIEAZ-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-2-[(5-chlorothiophen-2-yl)methyl]butan-1-ol
CID 106508322
4-(5-chlorothiophen-2-yl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81034530
1-(5-chlorothiophen-2-yl)-2-methylheptan-2-ol
CID 80557726
1-(5-chlorothiophen-2-yl)-2-(5-methylthiophen-2-yl)propan-2-ol
CID 114910568
4-(5-chlorothiophen-2-yl)-2-methylbutan-2-ol
CID 82126271
N-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethylbutan-1-amine
CID 103698467
2-(5-chlorothiophen-2-yl)sulfanyl-2-methylpropan-1-ol
CID 116852280
2-chloro-5-(3-chloro-2-cyclopropyl-2-methylpropyl)thiophene
CID 83150937
4-[(5-chlorothiophen-2-yl)methylamino]-3,3-dimethylbutanoic acid
CID 115220330
2-chloro-5-(2-ethyl-2-methylheptyl)thiophene
CID 130455839
1-(5-chlorothiophen-2-yl)-2-(methoxymethyl)butan-2-ol
CID 65149389
2-[(5-chlorothiophen-2-yl)methyl]-2-fluorobutan-1-amine
CID 112566022

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-2,2-dimethylpropan-1-ol (CID 66025156) is 3-(5-chlorothiophen-2-yl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-2,2-dimethylpropan-1-ol is CC(C)(CO)Cc1ccc(Cl)s1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-2,2-dimethylpropan-1-ol?
The InChIKey is XIDMJJNIBYIEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClOS/c1-9(2,6-11)5-7-3-4-8(10)12-7/h3-4,11H,5-6H2,1-2H3.
What are the key properties of 3-(5-chlorothiophen-2-yl)-2,2-dimethylpropan-1-ol?
3-(5-chlorothiophen-2-yl)-2,2-dimethylpropan-1-ol has a molecular weight of 204.72 g/mol, XLogP of 2.96, 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)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 66025156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).