3-(3-chlorothiophen-2-yl)propan-1-ol

C7H9ClOS — CID 55266094

IUPAC3-(3-chlorothiophen-2-yl)propan-1-ol
SMILESOCCCc1sccc1Cl
InChIInChI=1S/C7H9ClOS/c8-6-3-5-10-7(6)2-1-4-9/h3,5,9H,1-2,4H2
InChIKeyYFRPVVIQRIFSRP-UHFFFAOYSA-N
MW176.67 g/mol
LogP2.33
Rot. Bonds3

About 3-(3-chlorothiophen-2-yl)propan-1-ol

3-(3-chlorothiophen-2-yl)propan-1-ol (PubChem CID 55266094) has the molecular formula C7H9ClOS and a molecular weight of 176.67 g/mol. Its IUPAC name is 3-(3-chlorothiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(3-chlorothiophen-2-yl)propan-1-ol
PubChem CID55266094
Molecular FormulaC7H9ClOS
Molecular Weight176.67 g/mol
Exact Mass176.01
IUPAC Name3-(3-chlorothiophen-2-yl)propan-1-ol
SMILESOCCCc1sccc1Cl
InChIInChI=1S/C7H9ClOS/c8-6-3-5-10-7(6)2-1-4-9/h3,5,9H,1-2,4H2
InChIKeyYFRPVVIQRIFSRP-UHFFFAOYSA-N
XLogP2.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.67
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorothiophen-2-yl)propan-1-ol?
The IUPAC name of 3-(3-chlorothiophen-2-yl)propan-1-ol (CID 55266094) is 3-(3-chlorothiophen-2-yl)propan-1-ol.
What is the SMILES notation for 3-(3-chlorothiophen-2-yl)propan-1-ol?
The canonical SMILES for 3-(3-chlorothiophen-2-yl)propan-1-ol is OCCCc1sccc1Cl.
What is the InChIKey of 3-(3-chlorothiophen-2-yl)propan-1-ol?
The InChIKey is YFRPVVIQRIFSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClOS/c8-6-3-5-10-7(6)2-1-4-9/h3,5,9H,1-2,4H2.
What are the key properties of 3-(3-chlorothiophen-2-yl)propan-1-ol?
3-(3-chlorothiophen-2-yl)propan-1-ol has a molecular weight of 176.67 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorothiophen-2-yl)propan-1-ol is sourced from PubChem (CID 55266094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).