1-(3-chlorothiophen-2-yl)cycloheptan-1-ol

C11H15ClOS — CID 107358955

IUPAC1-(3-chlorothiophen-2-yl)cycloheptan-1-ol
SMILESOC1(c2sccc2Cl)CCCCCC1
InChIInChI=1S/C11H15ClOS/c12-9-5-8-14-10(9)11(13)6-3-1-2-4-7-11/h5,8,13H,1-4,6-7H2
InChIKeyPLQXFMGWPWKTPG-UHFFFAOYSA-N
MW230.76 g/mol
LogP3.94
Rot. Bonds1

About 1-(3-chlorothiophen-2-yl)cycloheptan-1-ol

1-(3-chlorothiophen-2-yl)cycloheptan-1-ol (PubChem CID 107358955) has the molecular formula C11H15ClOS and a molecular weight of 230.76 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)cycloheptan-1-ol.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)cycloheptan-1-ol
PubChem CID107358955
Molecular FormulaC11H15ClOS
Molecular Weight230.76 g/mol
Exact Mass230.05
IUPAC Name1-(3-chlorothiophen-2-yl)cycloheptan-1-ol
SMILESOC1(c2sccc2Cl)CCCCCC1
InChIInChI=1S/C11H15ClOS/c12-9-5-8-14-10(9)11(13)6-3-1-2-4-7-11/h5,8,13H,1-4,6-7H2
InChIKeyPLQXFMGWPWKTPG-UHFFFAOYSA-N
XLogP3.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.76
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorothiophen-2-yl)-3,3-dimethylcyclohexan-1-ol
CID 107359043
1-(3-chlorothiophen-2-yl)cycloheptan-1-amine
CID 107359236
1-(3-chlorothiophen-2-yl)-2,2-dimethylcyclobutan-1-ol
CID 130554948
(3-chlorothiophen-2-yl)-(1-hydroxycycloheptyl)methanone
CID 107359487
1-(3-chlorothiophen-2-yl)-3,4-dihydro-2H-naphthalen-1-ol
CID 107358956
1-thiophen-3-ylcyclooctan-1-ol
CID 66987938
1-thiophen-2-ylcycloheptan-1-ol
CID 61103027
1-(3-chlorothiophen-2-yl)-2,4,4-trimethylcyclohexan-1-ol
CID 107359119
3-chloro-2-methylthiophene;cyclohexane
CID 174875843
(3-chlorothiophen-2-yl)-(1-methoxycycloheptyl)methanol
CID 107359647
1-(4-bromothiophen-2-yl)cyclohexan-1-ol
CID 58591311
1-ethyl-4-(3-methylthiophen-2-yl)azepan-4-ol
CID 79992364

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)cycloheptan-1-ol?
The IUPAC name of 1-(3-chlorothiophen-2-yl)cycloheptan-1-ol (CID 107358955) is 1-(3-chlorothiophen-2-yl)cycloheptan-1-ol.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)cycloheptan-1-ol?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)cycloheptan-1-ol is OC1(c2sccc2Cl)CCCCCC1.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)cycloheptan-1-ol?
The InChIKey is PLQXFMGWPWKTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClOS/c12-9-5-8-14-10(9)11(13)6-3-1-2-4-7-11/h5,8,13H,1-4,6-7H2.
What are the key properties of 1-(3-chlorothiophen-2-yl)cycloheptan-1-ol?
1-(3-chlorothiophen-2-yl)cycloheptan-1-ol has a molecular weight of 230.76 g/mol, XLogP of 3.94, 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)cycloheptan-1-ol is sourced from PubChem (CID 107358955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).