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

C10H15ClOS — CID 80530393

IUPAC1-(3-chlorothiophen-2-yl)hexan-1-ol
SMILESCCCCCC(O)c1sccc1Cl
InChIInChI=1S/C10H15ClOS/c1-2-3-4-5-9(12)10-8(11)6-7-13-10/h6-7,9,12H,2-5H2,1H3
InChIKeyOHLKZIOVBVXOKC-UHFFFAOYSA-N
MW218.75 g/mol
LogP4.02
Rot. Bonds5

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

1-(3-chlorothiophen-2-yl)hexan-1-ol (PubChem CID 80530393) has the molecular formula C10H15ClOS and a molecular weight of 218.75 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)hexan-1-ol.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)hexan-1-ol
PubChem CID80530393
Molecular FormulaC10H15ClOS
Molecular Weight218.75 g/mol
Exact Mass218.05
IUPAC Name1-(3-chlorothiophen-2-yl)hexan-1-ol
SMILESCCCCCC(O)c1sccc1Cl
InChIInChI=1S/C10H15ClOS/c1-2-3-4-5-9(12)10-8(11)6-7-13-10/h6-7,9,12H,2-5H2,1H3
InChIKeyOHLKZIOVBVXOKC-UHFFFAOYSA-N
XLogP4.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.75
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorothiophen-2-yl)tridecan-1-ol
CID 115789521
2-(1-bromoheptyl)-3-chlorothiophene
CID 114753686
1-(3-chlorothiophen-2-yl)heptan-1-amine
CID 114752614
1-(3-chlorothiophen-2-yl)nonylhydrazine
CID 105294361
1-(3-methylthiophen-2-yl)tridecan-1-ol
CID 65148369
1-(3-chlorothiophen-2-yl)-N-methyltridecan-1-amine
CID 115846498
1-(3-chlorothiophen-2-yl)-3-ethylsulfanylpropan-1-ol
CID 107359197
3-amino-1-(3-chlorothiophen-2-yl)propan-1-ol
CID 80641547
1-(3-chlorothiophen-2-yl)-N-ethylundecan-1-amine
CID 115846003
1-(3-methoxythiophen-2-yl)decan-1-ol
CID 115782906
1-(3-chlorothiophen-2-yl)-N-propyldecan-1-amine
CID 80529601
1-(3-chloro-4-methylthiophen-2-yl)hexan-1-ol
CID 103407894

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)hexan-1-ol?
The IUPAC name of 1-(3-chlorothiophen-2-yl)hexan-1-ol (CID 80530393) is 1-(3-chlorothiophen-2-yl)hexan-1-ol.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)hexan-1-ol?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)hexan-1-ol is CCCCCC(O)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)hexan-1-ol?
The InChIKey is OHLKZIOVBVXOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClOS/c1-2-3-4-5-9(12)10-8(11)6-7-13-10/h6-7,9,12H,2-5H2,1H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)hexan-1-ol?
1-(3-chlorothiophen-2-yl)hexan-1-ol has a molecular weight of 218.75 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)hexan-1-ol is sourced from PubChem (CID 80530393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).