(3-chlorothiophen-2-yl)methanol

C5H5ClOS — CID 22134638

IUPAC(3-chlorothiophen-2-yl)methanol
SMILESOCc1sccc1Cl
InChIInChI=1S/C5H5ClOS/c6-4-1-2-8-5(4)3-7/h1-2,7H,3H2
InChIKeyCAAOMIYPIICAKB-UHFFFAOYSA-N
MW148.61 g/mol
LogP1.89
Rot. Bonds1

About (3-chlorothiophen-2-yl)methanol

(3-chlorothiophen-2-yl)methanol (PubChem CID 22134638) has the molecular formula C5H5ClOS and a molecular weight of 148.61 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)methanol.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)methanol
PubChem CID22134638
Molecular FormulaC5H5ClOS
Molecular Weight148.61 g/mol
Exact Mass147.97
IUPAC Name(3-chlorothiophen-2-yl)methanol
SMILESOCc1sccc1Cl
InChIInChI=1S/C5H5ClOS/c6-4-1-2-8-5(4)3-7/h1-2,7H,3H2
InChIKeyCAAOMIYPIICAKB-UHFFFAOYSA-N
XLogP1.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.61
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Thiophenemethanol
CID 69467
alpha-Methyl-2-thiophenemethanol
CID 102782
(1S)-1-(thiophen-2-yl)ethan-1-ol
CID 10887923
1-(5-Chlorothiophen-2-yl)ethan-1-ol
CID 15361441
(1R)-1-(2-Thienyl)ethanol
CID 11062410
(5-Chlorothiophen-2-yl)methanol
CID 12554178
2-Thiophenemethanol, alpha-ethenyl-
CID 11434996
2-(5-Chlorothiophen-2-yl)ethan-1-ol
CID 63967770
(4-Chlorothiophen-2-yl)methanol
CID 67154484
(3,5-Dichlorothiophen-2-yl)methanol
CID 123290972
(5-Bromo-3-chlorothiophen-2-yl)methanol
CID 141388056
(S)-3-Chloro-1-(thiophen-2-yl)propan-1-ol
CID 10236042

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)methanol?
The IUPAC name of (3-chlorothiophen-2-yl)methanol (CID 22134638) is (3-chlorothiophen-2-yl)methanol.
What is the SMILES notation for (3-chlorothiophen-2-yl)methanol?
The canonical SMILES for (3-chlorothiophen-2-yl)methanol is OCc1sccc1Cl.
What is the InChIKey of (3-chlorothiophen-2-yl)methanol?
The InChIKey is CAAOMIYPIICAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClOS/c6-4-1-2-8-5(4)3-7/h1-2,7H,3H2.
What are the key properties of (3-chlorothiophen-2-yl)methanol?
(3-chlorothiophen-2-yl)methanol has a molecular weight of 148.61 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)methanol is sourced from PubChem (CID 22134638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).