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

C9H13ClOS — CID 102764468

IUPAC1-(5-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-ol
SMILESCc1cc(C(O)C(C)C)sc1Cl
InChIInChI=1S/C9H13ClOS/c1-5(2)8(11)7-4-6(3)9(10)12-7/h4-5,8,11H,1-3H3
InChIKeyTUSARQYHHAGIDG-UHFFFAOYSA-N
MW204.72 g/mol
LogP3.40
Rot. Bonds2

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

1-(5-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-ol (PubChem CID 102764468) has the molecular formula C9H13ClOS and a molecular weight of 204.72 g/mol. Its IUPAC name is 1-(5-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(5-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-ol
PubChem CID102764468
Molecular FormulaC9H13ClOS
Molecular Weight204.72 g/mol
Exact Mass204.04
IUPAC Name1-(5-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-ol
SMILESCc1cc(C(O)C(C)C)sc1Cl
InChIInChI=1S/C9H13ClOS/c1-5(2)8(11)7-4-6(3)9(10)12-7/h4-5,8,11H,1-3H3
InChIKeyTUSARQYHHAGIDG-UHFFFAOYSA-N
XLogP3.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.72
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(5-chloro-4-methylthiophen-2-yl)ethanol
CID 102765292
1-(5-chloro-4-methylthiophen-2-yl)-4-methylpentan-1-ol
CID 102764586
1-(5-chloro-4-methylthiophen-2-yl)pentan-1-ol
CID 102764394
(5-chloro-4-methylthiophen-2-yl)-(4-methylthiophen-3-yl)methanol
CID 102764416
(5-chloro-4-methylthiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanol
CID 102764533
1-(5-chloro-4-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanol
CID 102764589
(5-chloro-4-methylthiophen-2-yl)-(1-methylcyclopentyl)methanol
CID 102764522
1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonylpropan-1-ol
CID 102764411
(5-chloro-4-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 102764552
5-[bromo-(4-propan-2-ylphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764996
1-(5-chlorothiophen-2-yl)-2-methylpropan-1-ol
CID 61088930
(5-chloro-4-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanol
CID 102764444

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-ol?
The IUPAC name of 1-(5-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-ol (CID 102764468) is 1-(5-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 1-(5-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-ol?
The canonical SMILES for 1-(5-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-ol is Cc1cc(C(O)C(C)C)sc1Cl.
What is the InChIKey of 1-(5-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-ol?
The InChIKey is TUSARQYHHAGIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClOS/c1-5(2)8(11)7-4-6(3)9(10)12-7/h4-5,8,11H,1-3H3.
What are the key properties of 1-(5-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-ol?
1-(5-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-ol has a molecular weight of 204.72 g/mol, XLogP of 3.40, 2 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)-2-methylpropan-1-ol is sourced from PubChem (CID 102764468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).