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

C12H11ClOS — CID 118628615

IUPAC[3-[(3-chlorophenyl)methyl]thiophen-2-yl]methanol
SMILESOCc1sccc1Cc1cccc(Cl)c1
InChIInChI=1S/C12H11ClOS/c13-11-3-1-2-9(7-11)6-10-4-5-15-12(10)8-14/h1-5,7,14H,6,8H2
InChIKeyWIGDJTXSCNHIKP-UHFFFAOYSA-N
MW238.74 g/mol
LogP3.48
Rot. Bonds3

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

[3-[(3-chlorophenyl)methyl]thiophen-2-yl]methanol (PubChem CID 118628615) has the molecular formula C12H11ClOS and a molecular weight of 238.74 g/mol. Its IUPAC name is [3-[(3-chlorophenyl)methyl]thiophen-2-yl]methanol.

Molecular Properties

Compound Name[3-[(3-chlorophenyl)methyl]thiophen-2-yl]methanol
PubChem CID118628615
Molecular FormulaC12H11ClOS
Molecular Weight238.74 g/mol
Exact Mass238.02
IUPAC Name[3-[(3-chlorophenyl)methyl]thiophen-2-yl]methanol
SMILESOCc1sccc1Cc1cccc(Cl)c1
InChIInChI=1S/C12H11ClOS/c13-11-3-1-2-9(7-11)6-10-4-5-15-12(10)8-14/h1-5,7,14H,6,8H2
InChIKeyWIGDJTXSCNHIKP-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 [3-[(3-chlorophenyl)methyl]thiophen-2-yl]methanol?
The IUPAC name of [3-[(3-chlorophenyl)methyl]thiophen-2-yl]methanol (CID 118628615) is [3-[(3-chlorophenyl)methyl]thiophen-2-yl]methanol.
What is the SMILES notation for [3-[(3-chlorophenyl)methyl]thiophen-2-yl]methanol?
The canonical SMILES for [3-[(3-chlorophenyl)methyl]thiophen-2-yl]methanol is OCc1sccc1Cc1cccc(Cl)c1.
What is the InChIKey of [3-[(3-chlorophenyl)methyl]thiophen-2-yl]methanol?
The InChIKey is WIGDJTXSCNHIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClOS/c13-11-3-1-2-9(7-11)6-10-4-5-15-12(10)8-14/h1-5,7,14H,6,8H2.
What are the key properties of [3-[(3-chlorophenyl)methyl]thiophen-2-yl]methanol?
[3-[(3-chlorophenyl)methyl]thiophen-2-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 [3-[(3-chlorophenyl)methyl]thiophen-2-yl]methanol is sourced from PubChem (CID 118628615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).