[2-[(3-chlorophenyl)methyl]thiophen-3-yl]methanol

C12H11ClOS — CID 129253767

IUPAC[2-[(3-chlorophenyl)methyl]thiophen-3-yl]methanol
SMILESOCc1ccsc1Cc1cccc(Cl)c1
InChIInChI=1S/C12H11ClOS/c13-11-3-1-2-9(6-11)7-12-10(8-14)4-5-15-12/h1-6,14H,7-8H2
InChIKeyXDEHZXSSKUVOFY-UHFFFAOYSA-N
MW238.74 g/mol
LogP3.48
Rot. Bonds3

About [2-[(3-chlorophenyl)methyl]thiophen-3-yl]methanol

[2-[(3-chlorophenyl)methyl]thiophen-3-yl]methanol (PubChem CID 129253767) has the molecular formula C12H11ClOS and a molecular weight of 238.74 g/mol. Its IUPAC name is [2-[(3-chlorophenyl)methyl]thiophen-3-yl]methanol.

Molecular Properties

Compound Name[2-[(3-chlorophenyl)methyl]thiophen-3-yl]methanol
PubChem CID129253767
Molecular FormulaC12H11ClOS
Molecular Weight238.74 g/mol
Exact Mass238.02
IUPAC Name[2-[(3-chlorophenyl)methyl]thiophen-3-yl]methanol
SMILESOCc1ccsc1Cc1cccc(Cl)c1
InChIInChI=1S/C12H11ClOS/c13-11-3-1-2-9(6-11)7-12-10(8-14)4-5-15-12/h1-6,14H,7-8H2
InChIKeyXDEHZXSSKUVOFY-UHFFFAOYSA-N
XLogP3.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.74
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[(3-chlorophenyl)methyl]thiophen-3-yl]methanol?
The IUPAC name of [2-[(3-chlorophenyl)methyl]thiophen-3-yl]methanol (CID 129253767) is [2-[(3-chlorophenyl)methyl]thiophen-3-yl]methanol.
What is the SMILES notation for [2-[(3-chlorophenyl)methyl]thiophen-3-yl]methanol?
The canonical SMILES for [2-[(3-chlorophenyl)methyl]thiophen-3-yl]methanol is OCc1ccsc1Cc1cccc(Cl)c1.
What is the InChIKey of [2-[(3-chlorophenyl)methyl]thiophen-3-yl]methanol?
The InChIKey is XDEHZXSSKUVOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClOS/c13-11-3-1-2-9(6-11)7-12-10(8-14)4-5-15-12/h1-6,14H,7-8H2.
What are the key properties of [2-[(3-chlorophenyl)methyl]thiophen-3-yl]methanol?
[2-[(3-chlorophenyl)methyl]thiophen-3-yl]methanol has a molecular weight of 238.74 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-chlorophenyl)methyl]thiophen-3-yl]methanol is sourced from PubChem (CID 129253767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).