1-(5-chlorothiophen-2-yl)-2-ethylhexan-1-ol

C12H19ClOS — CID 61087799

IUPAC1-(5-chlorothiophen-2-yl)-2-ethylhexan-1-ol
SMILESCCCCC(CC)C(O)c1ccc(Cl)s1
InChIInChI=1S/C12H19ClOS/c1-3-5-6-9(4-2)12(14)10-7-8-11(13)15-10/h7-9,12,14H,3-6H2,1-2H3
InChIKeyFWABUWPRWGOWSO-UHFFFAOYSA-N
MW246.80 g/mol
LogP4.65
Rot. Bonds6

About 1-(5-chlorothiophen-2-yl)-2-ethylhexan-1-ol

1-(5-chlorothiophen-2-yl)-2-ethylhexan-1-ol (PubChem CID 61087799) has the molecular formula C12H19ClOS and a molecular weight of 246.80 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-ethylhexan-1-ol.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-ethylhexan-1-ol
PubChem CID61087799
Molecular FormulaC12H19ClOS
Molecular Weight246.80 g/mol
Exact Mass246.08
IUPAC Name1-(5-chlorothiophen-2-yl)-2-ethylhexan-1-ol
SMILESCCCCC(CC)C(O)c1ccc(Cl)s1
InChIInChI=1S/C12H19ClOS/c1-3-5-6-9(4-2)12(14)10-7-8-11(13)15-10/h7-9,12,14H,3-6H2,1-2H3
InChIKeyFWABUWPRWGOWSO-UHFFFAOYSA-N
XLogP4.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.80
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-ethyl-N-propylhexan-1-amine
CID 43496970
2-ethyl-1-thiophen-2-ylhexan-1-ol
CID 61087313
1-(5-chlorothiophen-2-yl)-2-(hexan-2-ylamino)ethanol
CID 115725070
1-(5-chlorothiophen-2-yl)-2-methylpropan-1-ol
CID 61088930
(1S)-1-(5-chlorothiophen-2-yl)hexan-1-amine;hydrochloride
CID 171220112
1-(2,4-dichlorophenyl)-2-ethylhexan-1-ol
CID 55200196
1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-ethylpentan-2-ol
CID 103783012
2-chloro-5-(1-chloropropyl)thiophene
CID 61086027
1-(5-bromothiophen-2-yl)-2-ethylbutan-1-ol
CID 61081920
1-(5-chlorothiophen-2-yl)-3-methylidenepentan-1-ol
CID 115817545
1-(5-chlorothiophen-2-yl)-3-(propylamino)propan-1-ol
CID 112509992
2-[(5-chlorothiophen-2-yl)-(dimethylamino)methyl]butan-1-ol
CID 116913224

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-ethylhexan-1-ol?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-ethylhexan-1-ol (CID 61087799) is 1-(5-chlorothiophen-2-yl)-2-ethylhexan-1-ol.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-ethylhexan-1-ol?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-ethylhexan-1-ol is CCCCC(CC)C(O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-ethylhexan-1-ol?
The InChIKey is FWABUWPRWGOWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClOS/c1-3-5-6-9(4-2)12(14)10-7-8-11(13)15-10/h7-9,12,14H,3-6H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-ethylhexan-1-ol?
1-(5-chlorothiophen-2-yl)-2-ethylhexan-1-ol has a molecular weight of 246.80 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-ethylhexan-1-ol is sourced from PubChem (CID 61087799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).