3-(3-chlorophenyl)-1-thiophen-2-ylpropan-1-ol

C13H13ClOS — CID 2768269

IUPAC3-(3-chlorophenyl)-1-thiophen-2-ylpropan-1-ol
SMILESOC(CCc1cccc(Cl)c1)c1cccs1
InChIInChI=1S/C13H13ClOS/c14-11-4-1-3-10(9-11)6-7-12(15)13-5-2-8-16-13/h1-5,8-9,12,15H,6-7H2
InChIKeyLOJVZEAIZJCGHX-UHFFFAOYSA-N
MW252.77 g/mol
LogP4.07
Rot. Bonds4

About 3-(3-chlorophenyl)-1-thiophen-2-ylpropan-1-ol

3-(3-chlorophenyl)-1-thiophen-2-ylpropan-1-ol (PubChem CID 2768269) has the molecular formula C13H13ClOS and a molecular weight of 252.77 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-thiophen-2-ylpropan-1-ol
PubChem CID2768269
Molecular FormulaC13H13ClOS
Molecular Weight252.77 g/mol
Exact Mass252.04
IUPAC Name3-(3-chlorophenyl)-1-thiophen-2-ylpropan-1-ol
SMILESOC(CCc1cccc(Cl)c1)c1cccs1
InChIInChI=1S/C13H13ClOS/c14-11-4-1-3-10(9-11)6-7-12(15)13-5-2-8-16-13/h1-5,8-9,12,15H,6-7H2
InChIKeyLOJVZEAIZJCGHX-UHFFFAOYSA-N
XLogP4.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.77
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-thiophen-2-ylpropan-1-ol?
The IUPAC name of 3-(3-chlorophenyl)-1-thiophen-2-ylpropan-1-ol (CID 2768269) is 3-(3-chlorophenyl)-1-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 3-(3-chlorophenyl)-1-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 3-(3-chlorophenyl)-1-thiophen-2-ylpropan-1-ol is OC(CCc1cccc(Cl)c1)c1cccs1.
What is the InChIKey of 3-(3-chlorophenyl)-1-thiophen-2-ylpropan-1-ol?
The InChIKey is LOJVZEAIZJCGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClOS/c14-11-4-1-3-10(9-11)6-7-12(15)13-5-2-8-16-13/h1-5,8-9,12,15H,6-7H2.
What are the key properties of 3-(3-chlorophenyl)-1-thiophen-2-ylpropan-1-ol?
3-(3-chlorophenyl)-1-thiophen-2-ylpropan-1-ol has a molecular weight of 252.77 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 2768269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).