1-(2,5-dichlorothiophen-3-yl)pentan-1-ol

C9H12Cl2OS — CID 61081226

IUPAC1-(2,5-dichlorothiophen-3-yl)pentan-1-ol
SMILESCCCCC(O)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H12Cl2OS/c1-2-3-4-7(12)6-5-8(10)13-9(6)11/h5,7,12H,2-4H2,1H3
InChIKeyCOJWJRZWPXHMIX-UHFFFAOYSA-N
MW239.17 g/mol
LogP4.28
Rot. Bonds4

About 1-(2,5-dichlorothiophen-3-yl)pentan-1-ol

1-(2,5-dichlorothiophen-3-yl)pentan-1-ol (PubChem CID 61081226) has the molecular formula C9H12Cl2OS and a molecular weight of 239.17 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)pentan-1-ol.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)pentan-1-ol
PubChem CID61081226
Molecular FormulaC9H12Cl2OS
Molecular Weight239.17 g/mol
Exact Mass238.00
IUPAC Name1-(2,5-dichlorothiophen-3-yl)pentan-1-ol
SMILESCCCCC(O)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H12Cl2OS/c1-2-3-4-7(12)6-5-8(10)13-9(6)11/h5,7,12H,2-4H2,1H3
InChIKeyCOJWJRZWPXHMIX-UHFFFAOYSA-N
XLogP4.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.17
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)pentan-1-ol?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)pentan-1-ol (CID 61081226) is 1-(2,5-dichlorothiophen-3-yl)pentan-1-ol.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)pentan-1-ol?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)pentan-1-ol is CCCCC(O)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)pentan-1-ol?
The InChIKey is COJWJRZWPXHMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2OS/c1-2-3-4-7(12)6-5-8(10)13-9(6)11/h5,7,12H,2-4H2,1H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)pentan-1-ol?
1-(2,5-dichlorothiophen-3-yl)pentan-1-ol has a molecular weight of 239.17 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)pentan-1-ol is sourced from PubChem (CID 61081226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).