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

C13H13ClOS — CID 79454130

IUPAC2-(2-chlorophenyl)-3-thiophen-3-ylpropan-1-ol
SMILESOCC(Cc1ccsc1)c1ccccc1Cl
InChIInChI=1S/C13H13ClOS/c14-13-4-2-1-3-12(13)11(8-15)7-10-5-6-16-9-10/h1-6,9,11,15H,7-8H2
InChIKeySJPIAHCRACIYLC-UHFFFAOYSA-N
MW252.77 g/mol
LogP3.72
Rot. Bonds4

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

2-(2-chlorophenyl)-3-thiophen-3-ylpropan-1-ol (PubChem CID 79454130) has the molecular formula C13H13ClOS and a molecular weight of 252.77 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-thiophen-3-ylpropan-1-ol.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-thiophen-3-ylpropan-1-ol
PubChem CID79454130
Molecular FormulaC13H13ClOS
Molecular Weight252.77 g/mol
Exact Mass252.04
IUPAC Name2-(2-chlorophenyl)-3-thiophen-3-ylpropan-1-ol
SMILESOCC(Cc1ccsc1)c1ccccc1Cl
InChIInChI=1S/C13H13ClOS/c14-13-4-2-1-3-12(13)11(8-15)7-10-5-6-16-9-10/h1-6,9,11,15H,7-8H2
InChIKeySJPIAHCRACIYLC-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol
CID 42135569
1-(2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 61078376
2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol;methanesulfonic acid
CID 88843067
2-(2-chlorophenyl)-4-methylsulfonylbutan-1-ol
CID 79449397
1-(2,3-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 61077656
2-(2-fluorophenyl)-3-thiophen-3-ylpropan-1-amine
CID 79448882
3-(3-bromo-2-phenylpropyl)thiophene
CID 66040659
3-(2-chloro-2-naphthalen-1-ylethyl)thiophene
CID 63520029
1-(2-chloro-6-fluorophenyl)-3-thiophen-3-ylpropan-2-ol
CID 55144841
2-(thiophen-3-ylmethyl)butan-1-ol
CID 21301482
3-[2-chloro-2-(2-methylsulfanylphenyl)ethyl]thiophene
CID 79205323
1-(2-chlorophenyl)-2-thiophen-3-ylethanone
CID 61054052

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-thiophen-3-ylpropan-1-ol?
The IUPAC name of 2-(2-chlorophenyl)-3-thiophen-3-ylpropan-1-ol (CID 79454130) is 2-(2-chlorophenyl)-3-thiophen-3-ylpropan-1-ol.
What is the SMILES notation for 2-(2-chlorophenyl)-3-thiophen-3-ylpropan-1-ol?
The canonical SMILES for 2-(2-chlorophenyl)-3-thiophen-3-ylpropan-1-ol is OCC(Cc1ccsc1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-3-thiophen-3-ylpropan-1-ol?
The InChIKey is SJPIAHCRACIYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClOS/c14-13-4-2-1-3-12(13)11(8-15)7-10-5-6-16-9-10/h1-6,9,11,15H,7-8H2.
What are the key properties of 2-(2-chlorophenyl)-3-thiophen-3-ylpropan-1-ol?
2-(2-chlorophenyl)-3-thiophen-3-ylpropan-1-ol has a molecular weight of 252.77 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-thiophen-3-ylpropan-1-ol is sourced from PubChem (CID 79454130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).