2-chloro-1-(5-methylthiophen-2-yl)ethanol

C7H9ClOS — CID 83001254

IUPAC2-chloro-1-(5-methylthiophen-2-yl)ethanol
SMILESCc1ccc(C(O)CCl)s1
InChIInChI=1S/C7H9ClOS/c1-5-2-3-7(10-5)6(9)4-8/h2-3,6,9H,4H2,1H3
InChIKeyMXHLLGRLPSBPEM-UHFFFAOYSA-N
MW176.67 g/mol
LogP2.33
Rot. Bonds2

About 2-chloro-1-(5-methylthiophen-2-yl)ethanol

2-chloro-1-(5-methylthiophen-2-yl)ethanol (PubChem CID 83001254) has the molecular formula C7H9ClOS and a molecular weight of 176.67 g/mol. Its IUPAC name is 2-chloro-1-(5-methylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-chloro-1-(5-methylthiophen-2-yl)ethanol
PubChem CID83001254
Molecular FormulaC7H9ClOS
Molecular Weight176.67 g/mol
Exact Mass176.01
IUPAC Name2-chloro-1-(5-methylthiophen-2-yl)ethanol
SMILESCc1ccc(C(O)CCl)s1
InChIInChI=1S/C7H9ClOS/c1-5-2-3-7(10-5)6(9)4-8/h2-3,6,9H,4H2,1H3
InChIKeyMXHLLGRLPSBPEM-UHFFFAOYSA-N
XLogP2.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.67
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(1S)-2-chloro-1-(5-chlorothiophen-2-yl)ethanol
CID 83001660
5,5,5-trifluoro-1-(5-methylthiophen-2-yl)pentan-1-ol
CID 115515429
4-methoxy-1-(5-methylthiophen-2-yl)pentan-1-ol
CID 105109245
2-azido-1-(5-methylthiophen-2-yl)ethanol
CID 83093251
2-methyl-1-(5-methylthiophen-2-yl)propan-1-ol
CID 61099304
1-(5-methylthiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 79824094
(2S)-2-(5-methylthiophen-2-yl)propan-1-ol
CID 23660060
1-(5-methylthiophen-2-yl)-2-phenylmethoxyethanol
CID 130966335
2-(cyclobutylamino)-1-(5-methylthiophen-2-yl)ethanol
CID 117239920
2-(3-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanol
CID 61101540
5-(5-methylthiophen-2-yl)hexane-2,3-diol
CID 83929345
2-amino-2-(5-methylthiophen-2-yl)ethanol
CID 56828532

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(5-methylthiophen-2-yl)ethanol?
The IUPAC name of 2-chloro-1-(5-methylthiophen-2-yl)ethanol (CID 83001254) is 2-chloro-1-(5-methylthiophen-2-yl)ethanol.
What is the SMILES notation for 2-chloro-1-(5-methylthiophen-2-yl)ethanol?
The canonical SMILES for 2-chloro-1-(5-methylthiophen-2-yl)ethanol is Cc1ccc(C(O)CCl)s1.
What is the InChIKey of 2-chloro-1-(5-methylthiophen-2-yl)ethanol?
The InChIKey is MXHLLGRLPSBPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClOS/c1-5-2-3-7(10-5)6(9)4-8/h2-3,6,9H,4H2,1H3.
What are the key properties of 2-chloro-1-(5-methylthiophen-2-yl)ethanol?
2-chloro-1-(5-methylthiophen-2-yl)ethanol has a molecular weight of 176.67 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(5-methylthiophen-2-yl)ethanol is sourced from PubChem (CID 83001254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).