(2-chlorothiophen-3-yl)methanol

C5H5ClOS — CID 18938072

IUPAC(2-chlorothiophen-3-yl)methanol
SMILESOCc1ccsc1Cl
InChIInChI=1S/C5H5ClOS/c6-5-4(3-7)1-2-8-5/h1-2,7H,3H2
InChIKeyFESBOVOYXJZFOX-UHFFFAOYSA-N
MW148.61 g/mol
LogP1.89
Rot. Bonds1

About (2-chlorothiophen-3-yl)methanol

(2-chlorothiophen-3-yl)methanol (PubChem CID 18938072) has the molecular formula C5H5ClOS and a molecular weight of 148.61 g/mol. Its IUPAC name is (2-chlorothiophen-3-yl)methanol.

Molecular Properties

Compound Name(2-chlorothiophen-3-yl)methanol
PubChem CID18938072
Molecular FormulaC5H5ClOS
Molecular Weight148.61 g/mol
Exact Mass147.97
IUPAC Name(2-chlorothiophen-3-yl)methanol
SMILESOCc1ccsc1Cl
InChIInChI=1S/C5H5ClOS/c6-5-4(3-7)1-2-8-5/h1-2,7H,3H2
InChIKeyFESBOVOYXJZFOX-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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Frequently Asked Questions

What is the IUPAC name of (2-chlorothiophen-3-yl)methanol?
The IUPAC name of (2-chlorothiophen-3-yl)methanol (CID 18938072) is (2-chlorothiophen-3-yl)methanol.
What is the SMILES notation for (2-chlorothiophen-3-yl)methanol?
The canonical SMILES for (2-chlorothiophen-3-yl)methanol is OCc1ccsc1Cl.
What is the InChIKey of (2-chlorothiophen-3-yl)methanol?
The InChIKey is FESBOVOYXJZFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClOS/c6-5-4(3-7)1-2-8-5/h1-2,7H,3H2.
What are the key properties of (2-chlorothiophen-3-yl)methanol?
(2-chlorothiophen-3-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 (2-chlorothiophen-3-yl)methanol is sourced from PubChem (CID 18938072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).