1-(5-chloro-4-methylthiophen-2-yl)-4-methylpentan-1-ol

C11H17ClOS — CID 102764586

IUPAC1-(5-chloro-4-methylthiophen-2-yl)-4-methylpentan-1-ol
SMILESCc1cc(C(O)CCC(C)C)sc1Cl
InChIInChI=1S/C11H17ClOS/c1-7(2)4-5-9(13)10-6-8(3)11(12)14-10/h6-7,9,13H,4-5H2,1-3H3
InChIKeyQEDCBCJYNHEVKU-UHFFFAOYSA-N
MW232.78 g/mol
LogP4.18
Rot. Bonds4

About 1-(5-chloro-4-methylthiophen-2-yl)-4-methylpentan-1-ol

1-(5-chloro-4-methylthiophen-2-yl)-4-methylpentan-1-ol (PubChem CID 102764586) has the molecular formula C11H17ClOS and a molecular weight of 232.78 g/mol. Its IUPAC name is 1-(5-chloro-4-methylthiophen-2-yl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name1-(5-chloro-4-methylthiophen-2-yl)-4-methylpentan-1-ol
PubChem CID102764586
Molecular FormulaC11H17ClOS
Molecular Weight232.78 g/mol
Exact Mass232.07
IUPAC Name1-(5-chloro-4-methylthiophen-2-yl)-4-methylpentan-1-ol
SMILESCc1cc(C(O)CCC(C)C)sc1Cl
InChIInChI=1S/C11H17ClOS/c1-7(2)4-5-9(13)10-6-8(3)11(12)14-10/h6-7,9,13H,4-5H2,1-3H3
InChIKeyQEDCBCJYNHEVKU-UHFFFAOYSA-N
XLogP4.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.78
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-4-methylthiophen-2-yl)pentan-1-ol
CID 102764394
(1S)-1-(5-chloro-4-methylthiophen-2-yl)ethanol
CID 102765292
1-(5-bromo-4-chlorothiophen-2-yl)-4-methylpentan-1-ol
CID 80532143
1-(5-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-ol
CID 102764468
1-(5-chloro-4-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanol
CID 102764589
1-(4-chlorothiophen-2-yl)-4-methylpentan-1-ol
CID 79426773
1-(2-chloro-4,5-dimethylphenyl)-4-methylpentan-1-ol
CID 115484477
2-chloro-5-(1-chloro-2-methylpentyl)-3-methylthiophene
CID 102764764
1-(5-chloro-4-methylthiophen-2-yl)-2-propylpentan-1-amine
CID 102763473
6-amino-6-(5-chloro-4-methylthiophen-2-yl)hexanamide
CID 102764308
(5-chloro-4-methylthiophen-2-yl)-piperidin-4-ylmethanol
CID 102764357
N-[1-(5-chloro-4-methylthiophen-2-yl)ethyl]propan-1-amine
CID 102764194

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4-methylthiophen-2-yl)-4-methylpentan-1-ol?
The IUPAC name of 1-(5-chloro-4-methylthiophen-2-yl)-4-methylpentan-1-ol (CID 102764586) is 1-(5-chloro-4-methylthiophen-2-yl)-4-methylpentan-1-ol.
What is the SMILES notation for 1-(5-chloro-4-methylthiophen-2-yl)-4-methylpentan-1-ol?
The canonical SMILES for 1-(5-chloro-4-methylthiophen-2-yl)-4-methylpentan-1-ol is Cc1cc(C(O)CCC(C)C)sc1Cl.
What is the InChIKey of 1-(5-chloro-4-methylthiophen-2-yl)-4-methylpentan-1-ol?
The InChIKey is QEDCBCJYNHEVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClOS/c1-7(2)4-5-9(13)10-6-8(3)11(12)14-10/h6-7,9,13H,4-5H2,1-3H3.
What are the key properties of 1-(5-chloro-4-methylthiophen-2-yl)-4-methylpentan-1-ol?
1-(5-chloro-4-methylthiophen-2-yl)-4-methylpentan-1-ol has a molecular weight of 232.78 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4-methylthiophen-2-yl)-4-methylpentan-1-ol is sourced from PubChem (CID 102764586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).