1-chloro-1-thiophen-3-ylpropan-2-ol

C7H9ClOS — CID 174465354

IUPAC1-chloro-1-thiophen-3-ylpropan-2-ol
SMILESCC(O)C(Cl)c1ccsc1
InChIInChI=1S/C7H9ClOS/c1-5(9)7(8)6-2-3-10-4-6/h2-5,7,9H,1H3
InChIKeyZYXNTTHKPNDEFY-UHFFFAOYSA-N
MW176.67 g/mol
LogP2.41
Rot. Bonds2

About 1-chloro-1-thiophen-3-ylpropan-2-ol

1-chloro-1-thiophen-3-ylpropan-2-ol (PubChem CID 174465354) has the molecular formula C7H9ClOS and a molecular weight of 176.67 g/mol. Its IUPAC name is 1-chloro-1-thiophen-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-chloro-1-thiophen-3-ylpropan-2-ol
PubChem CID174465354
Molecular FormulaC7H9ClOS
Molecular Weight176.67 g/mol
Exact Mass176.01
IUPAC Name1-chloro-1-thiophen-3-ylpropan-2-ol
SMILESCC(O)C(Cl)c1ccsc1
InChIInChI=1S/C7H9ClOS/c1-5(9)7(8)6-2-3-10-4-6/h2-5,7,9H,1H3
InChIKeyZYXNTTHKPNDEFY-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
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)-1-thiophen-3-ylethanol
CID 11297979
1-thiophen-3-ylethanol
CID 12744375
2-methyl-1-thiophen-3-ylbutan-1-ol
CID 65099391
2,4-di(thiophen-3-yl)pentan-3-one
CID 67673002
1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
5-methyl-1-thiophen-3-ylhexan-1-ol
CID 83158063
(3R)-3-thiophen-3-ylbutan-2-one
CID 90139651
(S)-(2-propan-2-ylphenyl)-thiophen-3-ylmethanol
CID 97293180
1-thiophen-3-ylbut-2-yn-1-ol
CID 130174336
(2,2,3,3-tetramethylcyclopropyl)-thiophen-3-ylmethanol
CID 115805572
2-thiophen-3-ylpropanoic acid;hydrochloride
CID 67842901
(1S)-N-methyl-1-thiophen-3-ylethanamine
CID 92981912

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-thiophen-3-ylpropan-2-ol?
The IUPAC name of 1-chloro-1-thiophen-3-ylpropan-2-ol (CID 174465354) is 1-chloro-1-thiophen-3-ylpropan-2-ol.
What is the SMILES notation for 1-chloro-1-thiophen-3-ylpropan-2-ol?
The canonical SMILES for 1-chloro-1-thiophen-3-ylpropan-2-ol is CC(O)C(Cl)c1ccsc1.
What is the InChIKey of 1-chloro-1-thiophen-3-ylpropan-2-ol?
The InChIKey is ZYXNTTHKPNDEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClOS/c1-5(9)7(8)6-2-3-10-4-6/h2-5,7,9H,1H3.
What are the key properties of 1-chloro-1-thiophen-3-ylpropan-2-ol?
1-chloro-1-thiophen-3-ylpropan-2-ol has a molecular weight of 176.67 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-thiophen-3-ylpropan-2-ol is sourced from PubChem (CID 174465354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).