(2-chlorothiophen-3-yl)-cyclohexylmethanol

C11H15ClOS — CID 131125424

IUPAC(2-chlorothiophen-3-yl)-cyclohexylmethanol
SMILESOC(c1ccsc1Cl)C1CCCCC1
InChIInChI=1S/C11H15ClOS/c12-11-9(6-7-14-11)10(13)8-4-2-1-3-5-8/h6-8,10,13H,1-5H2
InChIKeyQYBALHQJXYLCGY-UHFFFAOYSA-N
MW230.76 g/mol
LogP4.02
Rot. Bonds2

About (2-chlorothiophen-3-yl)-cyclohexylmethanol

(2-chlorothiophen-3-yl)-cyclohexylmethanol (PubChem CID 131125424) has the molecular formula C11H15ClOS and a molecular weight of 230.76 g/mol. Its IUPAC name is (2-chlorothiophen-3-yl)-cyclohexylmethanol.

Molecular Properties

Compound Name(2-chlorothiophen-3-yl)-cyclohexylmethanol
PubChem CID131125424
Molecular FormulaC11H15ClOS
Molecular Weight230.76 g/mol
Exact Mass230.05
IUPAC Name(2-chlorothiophen-3-yl)-cyclohexylmethanol
SMILESOC(c1ccsc1Cl)C1CCCCC1
InChIInChI=1S/C11H15ClOS/c12-11-9(6-7-14-11)10(13)8-4-2-1-3-5-8/h6-8,10,13H,1-5H2
InChIKeyQYBALHQJXYLCGY-UHFFFAOYSA-N
XLogP4.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.76
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-Chlorophenyl)-1-(2-thienyl)-1-propanol
CID 2768269
(5-Chlorothiophen-2-yl)-phenylmethanol
CID 20867537
(R)-(3-chlorophenyl)-thiophen-2-ylmethanol
CID 46704206
(R)-(4-chlorophenyl)-thiophen-2-ylmethanol
CID 93344565
Phenyl-(3,4,5-trichlorothiophen-2-yl)methanol
CID 102009538
(S)-(4-chlorophenyl)-thiophen-2-ylmethanol
CID 46914852
(5-Chlorothiophen-2-yl)-(4-fluorophenyl)methanol
CID 61088932
[5-(4-Chloro-phenyl)-thiophen-2-yl]-methanol
CID 17465366
(4-Chlorophenyl)(thiophen-2-yl)methanol
CID 10242757
3-Chlorophenyl-(2-thienyl)methanol
CID 11229852
Cyclohexyl(thiophen-3-yl)methanol
CID 60797879
(1S,2R)-2-phenyl-1-thiophen-3-ylbut-3-en-1-ol
CID 155930578

Frequently Asked Questions

What is the IUPAC name of (2-chlorothiophen-3-yl)-cyclohexylmethanol?
The IUPAC name of (2-chlorothiophen-3-yl)-cyclohexylmethanol (CID 131125424) is (2-chlorothiophen-3-yl)-cyclohexylmethanol.
What is the SMILES notation for (2-chlorothiophen-3-yl)-cyclohexylmethanol?
The canonical SMILES for (2-chlorothiophen-3-yl)-cyclohexylmethanol is OC(c1ccsc1Cl)C1CCCCC1.
What is the InChIKey of (2-chlorothiophen-3-yl)-cyclohexylmethanol?
The InChIKey is QYBALHQJXYLCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClOS/c12-11-9(6-7-14-11)10(13)8-4-2-1-3-5-8/h6-8,10,13H,1-5H2.
What are the key properties of (2-chlorothiophen-3-yl)-cyclohexylmethanol?
(2-chlorothiophen-3-yl)-cyclohexylmethanol has a molecular weight of 230.76 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorothiophen-3-yl)-cyclohexylmethanol is sourced from PubChem (CID 131125424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).