(3-chlorophenyl)-thiophen-2-ylmethanol

C11H9ClOS — CID 11229852

IUPAC(3-chlorophenyl)-thiophen-2-ylmethanol
SMILESOC(c1cccc(Cl)c1)c1cccs1
InChIInChI=1S/C11H9ClOS/c12-9-4-1-3-8(7-9)11(13)10-5-2-6-14-10/h1-7,11,13H
InChIKeyDWFMSYADCJDQMF-UHFFFAOYSA-N
MW224.71 g/mol
LogP3.48
Rot. Bonds2

About (3-chlorophenyl)-thiophen-2-ylmethanol

(3-chlorophenyl)-thiophen-2-ylmethanol (PubChem CID 11229852) has the molecular formula C11H9ClOS and a molecular weight of 224.71 g/mol. Its IUPAC name is (3-chlorophenyl)-thiophen-2-ylmethanol.

Molecular Properties

Compound Name(3-chlorophenyl)-thiophen-2-ylmethanol
PubChem CID11229852
Molecular FormulaC11H9ClOS
Molecular Weight224.71 g/mol
Exact Mass224.01
IUPAC Name(3-chlorophenyl)-thiophen-2-ylmethanol
SMILESOC(c1cccc(Cl)c1)c1cccs1
InChIInChI=1S/C11H9ClOS/c12-9-4-1-3-8(7-9)11(13)10-5-2-6-14-10/h1-7,11,13H
InChIKeyDWFMSYADCJDQMF-UHFFFAOYSA-N
XLogP3.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.71
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-thiophen-2-ylmethanol?
The IUPAC name of (3-chlorophenyl)-thiophen-2-ylmethanol (CID 11229852) is (3-chlorophenyl)-thiophen-2-ylmethanol.
What is the SMILES notation for (3-chlorophenyl)-thiophen-2-ylmethanol?
The canonical SMILES for (3-chlorophenyl)-thiophen-2-ylmethanol is OC(c1cccc(Cl)c1)c1cccs1.
What is the InChIKey of (3-chlorophenyl)-thiophen-2-ylmethanol?
The InChIKey is DWFMSYADCJDQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClOS/c12-9-4-1-3-8(7-9)11(13)10-5-2-6-14-10/h1-7,11,13H.
What are the key properties of (3-chlorophenyl)-thiophen-2-ylmethanol?
(3-chlorophenyl)-thiophen-2-ylmethanol has a molecular weight of 224.71 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-thiophen-2-ylmethanol is sourced from PubChem (CID 11229852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).