1-(4-chlorothiophen-2-yl)-4-methylpentan-1-ol

C10H15ClOS — CID 79426773

IUPAC1-(4-chlorothiophen-2-yl)-4-methylpentan-1-ol
SMILESCC(C)CCC(O)c1cc(Cl)cs1
InChIInChI=1S/C10H15ClOS/c1-7(2)3-4-9(12)10-5-8(11)6-13-10/h5-7,9,12H,3-4H2,1-2H3
InChIKeyZFFCIWZIGRSBNO-UHFFFAOYSA-N
MW218.75 g/mol
LogP3.87
Rot. Bonds4

About 1-(4-chlorothiophen-2-yl)-4-methylpentan-1-ol

1-(4-chlorothiophen-2-yl)-4-methylpentan-1-ol (PubChem CID 79426773) has the molecular formula C10H15ClOS and a molecular weight of 218.75 g/mol. Its IUPAC name is 1-(4-chlorothiophen-2-yl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name1-(4-chlorothiophen-2-yl)-4-methylpentan-1-ol
PubChem CID79426773
Molecular FormulaC10H15ClOS
Molecular Weight218.75 g/mol
Exact Mass218.05
IUPAC Name1-(4-chlorothiophen-2-yl)-4-methylpentan-1-ol
SMILESCC(C)CCC(O)c1cc(Cl)cs1
InChIInChI=1S/C10H15ClOS/c1-7(2)3-4-9(12)10-5-8(11)6-13-10/h5-7,9,12H,3-4H2,1-2H3
InChIKeyZFFCIWZIGRSBNO-UHFFFAOYSA-N
XLogP3.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.75
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorothiophen-2-yl)-2-(propan-2-ylamino)ethanol
CID 3046791
1-(4-chlorothiophen-2-yl)-2-(methylamino)ethanol
CID 82403069
1-(5-chloro-4-methylthiophen-2-yl)-4-methylpentan-1-ol
CID 102764586
1-(5-bromo-4-chlorothiophen-2-yl)-4-methylpentan-1-ol
CID 80532143
1-(4-chlorothiophen-2-yl)-2-(4-fluorophenyl)ethanol
CID 79427974
1-(4-chlorothiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 79825207
1-(4-chlorothiophen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 79427873
1-(4-chlorothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanol
CID 112642016
2-(4-chloro-2-fluorophenyl)-1-(4-chlorothiophen-2-yl)ethanol
CID 114852395
1-(4-chlorothiophen-2-yl)-2,2,2-trifluoroethanol
CID 79426546
3-amino-3-(4-chlorothiophen-2-yl)propan-1-ol
CID 79427562
1-(4-chlorothiophen-2-yl)-3-methylbut-2-en-1-ol
CID 79428210

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorothiophen-2-yl)-4-methylpentan-1-ol?
The IUPAC name of 1-(4-chlorothiophen-2-yl)-4-methylpentan-1-ol (CID 79426773) is 1-(4-chlorothiophen-2-yl)-4-methylpentan-1-ol.
What is the SMILES notation for 1-(4-chlorothiophen-2-yl)-4-methylpentan-1-ol?
The canonical SMILES for 1-(4-chlorothiophen-2-yl)-4-methylpentan-1-ol is CC(C)CCC(O)c1cc(Cl)cs1.
What is the InChIKey of 1-(4-chlorothiophen-2-yl)-4-methylpentan-1-ol?
The InChIKey is ZFFCIWZIGRSBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClOS/c1-7(2)3-4-9(12)10-5-8(11)6-13-10/h5-7,9,12H,3-4H2,1-2H3.
What are the key properties of 1-(4-chlorothiophen-2-yl)-4-methylpentan-1-ol?
1-(4-chlorothiophen-2-yl)-4-methylpentan-1-ol has a molecular weight of 218.75 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorothiophen-2-yl)-4-methylpentan-1-ol is sourced from PubChem (CID 79426773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).