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

C10H13ClOS — CID 130554948

IUPAC1-(3-chlorothiophen-2-yl)-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)CCC1(O)c1sccc1Cl
InChIInChI=1S/C10H13ClOS/c1-9(2)4-5-10(9,12)8-7(11)3-6-13-8/h3,6,12H,4-5H2,1-2H3
InChIKeyPPPLRWBGRZIVPO-UHFFFAOYSA-N
MW216.73 g/mol
LogP3.41
Rot. Bonds1

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

1-(3-chlorothiophen-2-yl)-2,2-dimethylcyclobutan-1-ol (PubChem CID 130554948) has the molecular formula C10H13ClOS and a molecular weight of 216.73 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-2,2-dimethylcyclobutan-1-ol
PubChem CID130554948
Molecular FormulaC10H13ClOS
Molecular Weight216.73 g/mol
Exact Mass216.04
IUPAC Name1-(3-chlorothiophen-2-yl)-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)CCC1(O)c1sccc1Cl
InChIInChI=1S/C10H13ClOS/c1-9(2)4-5-10(9,12)8-7(11)3-6-13-8/h3,6,12H,4-5H2,1-2H3
InChIKeyPPPLRWBGRZIVPO-UHFFFAOYSA-N
XLogP3.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.73
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorothiophen-2-yl)-2,4,4-trimethylcyclohexan-1-ol
CID 107359119
1-(3-chlorothiophen-2-yl)cycloheptan-1-ol
CID 107358955
1-(3-chlorothiophen-2-yl)-3,3-dimethylcyclohexan-1-ol
CID 107359043
1-(3-chlorothiophen-2-yl)cycloheptan-1-amine
CID 107359236
3-(3-chlorothiophen-2-yl)-3-fluoro-2,2-dimethylcyclobutan-1-amine
CID 164647313
1-(3-chlorothiophen-2-yl)-3,4-dihydro-2H-naphthalen-1-ol
CID 107358956
1-(2-chlorophenyl)-2,2-dimethylcyclopentan-1-ol
CID 79862434
(3-chlorothiophen-2-yl)-(4,4-dimethylcyclohexyl)methanol
CID 107359543
(5S,6R)-5,6-dimethyl-4H-cyclopenta[b]thiophene-5,6-diol
CID 11735562
3,3-dimethyl-1-(3-methylthiophen-2-yl)cyclopentan-1-ol
CID 80698904
10-chloro-7,7-dimethyl-3-thia-9-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaene
CID 138500591
(3-chlorothiophen-2-yl)-(1-hydroxycycloheptyl)methanone
CID 107359487

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-2,2-dimethylcyclobutan-1-ol (CID 130554948) is 1-(3-chlorothiophen-2-yl)-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-2,2-dimethylcyclobutan-1-ol is CC1(C)CCC1(O)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-2,2-dimethylcyclobutan-1-ol?
The InChIKey is PPPLRWBGRZIVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClOS/c1-9(2)4-5-10(9,12)8-7(11)3-6-13-8/h3,6,12H,4-5H2,1-2H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-2,2-dimethylcyclobutan-1-ol?
1-(3-chlorothiophen-2-yl)-2,2-dimethylcyclobutan-1-ol has a molecular weight of 216.73 g/mol, XLogP of 3.41, 1 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-dimethylcyclobutan-1-ol is sourced from PubChem (CID 130554948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).