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

C12H17ClOS — CID 107359043

IUPAC1-(3-chlorothiophen-2-yl)-3,3-dimethylcyclohexan-1-ol
SMILESCC1(C)CCCC(O)(c2sccc2Cl)C1
InChIInChI=1S/C12H17ClOS/c1-11(2)5-3-6-12(14,8-11)10-9(13)4-7-15-10/h4,7,14H,3,5-6,8H2,1-2H3
InChIKeyAJFGDEMHKACRDZ-UHFFFAOYSA-N
MW244.79 g/mol
LogP4.19
Rot. Bonds1

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

1-(3-chlorothiophen-2-yl)-3,3-dimethylcyclohexan-1-ol (PubChem CID 107359043) has the molecular formula C12H17ClOS and a molecular weight of 244.79 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-3,3-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-3,3-dimethylcyclohexan-1-ol
PubChem CID107359043
Molecular FormulaC12H17ClOS
Molecular Weight244.79 g/mol
Exact Mass244.07
IUPAC Name1-(3-chlorothiophen-2-yl)-3,3-dimethylcyclohexan-1-ol
SMILESCC1(C)CCCC(O)(c2sccc2Cl)C1
InChIInChI=1S/C12H17ClOS/c1-11(2)5-3-6-12(14,8-11)10-9(13)4-7-15-10/h4,7,14H,3,5-6,8H2,1-2H3
InChIKeyAJFGDEMHKACRDZ-UHFFFAOYSA-N
XLogP4.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.79
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorothiophen-2-yl)cycloheptan-1-ol
CID 107358955
3,3-dimethyl-1-(3-methylthiophen-2-yl)cyclopentan-1-ol
CID 80698904
1-(3-bromothiophen-2-yl)-3,3-dimethylcyclopentan-1-ol
CID 80700150
1-(3-chlorothiophen-2-yl)-2,2-dimethylcyclobutan-1-ol
CID 130554948
1-(3-chlorothiophen-2-yl)-2,4,4-trimethylcyclohexan-1-ol
CID 107359119
1-(4-chloro-3-methoxyphenyl)-3,3-dimethylcyclohexan-1-ol
CID 79700558
1-(3-chlorothiophen-2-yl)cycloheptan-1-amine
CID 107359236
4,4-dimethyl-1-thiophen-3-ylcycloheptan-1-ol
CID 65099568
1-[4-(1-hydroxy-3,3-dimethylcyclohexyl)phenyl]ethanone
CID 22390427
3-(3-chlorothiophen-2-yl)-3-fluoro-2,2-dimethylcyclobutan-1-amine
CID 164647313
1-(3,4-dichlorophenyl)-4,4-dimethylcycloheptan-1-ol
CID 65085693
1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3,3-dimethylcyclohexan-1-ol
CID 106971574

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-3,3-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-3,3-dimethylcyclohexan-1-ol (CID 107359043) is 1-(3-chlorothiophen-2-yl)-3,3-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-3,3-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-3,3-dimethylcyclohexan-1-ol is CC1(C)CCCC(O)(c2sccc2Cl)C1.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-3,3-dimethylcyclohexan-1-ol?
The InChIKey is AJFGDEMHKACRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClOS/c1-11(2)5-3-6-12(14,8-11)10-9(13)4-7-15-10/h4,7,14H,3,5-6,8H2,1-2H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-3,3-dimethylcyclohexan-1-ol?
1-(3-chlorothiophen-2-yl)-3,3-dimethylcyclohexan-1-ol has a molecular weight of 244.79 g/mol, XLogP of 4.19, 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)-3,3-dimethylcyclohexan-1-ol is sourced from PubChem (CID 107359043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).