1-(5-chlorothiophen-2-yl)-4-methoxypentan-1-ol

C10H15ClO2S — CID 105119672

IUPAC1-(5-chlorothiophen-2-yl)-4-methoxypentan-1-ol
SMILESCOC(C)CCC(O)c1ccc(Cl)s1
InChIInChI=1S/C10H15ClO2S/c1-7(13-2)3-4-8(12)9-5-6-10(11)14-9/h5-8,12H,3-4H2,1-2H3
InChIKeyFPUYQPFXOKFXCF-UHFFFAOYSA-N
MW234.75 g/mol
LogP3.25
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-4-methoxypentan-1-ol

1-(5-chlorothiophen-2-yl)-4-methoxypentan-1-ol (PubChem CID 105119672) has the molecular formula C10H15ClO2S and a molecular weight of 234.75 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-4-methoxypentan-1-ol.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-4-methoxypentan-1-ol
PubChem CID105119672
Molecular FormulaC10H15ClO2S
Molecular Weight234.75 g/mol
Exact Mass234.05
IUPAC Name1-(5-chlorothiophen-2-yl)-4-methoxypentan-1-ol
SMILESCOC(C)CCC(O)c1ccc(Cl)s1
InChIInChI=1S/C10H15ClO2S/c1-7(13-2)3-4-8(12)9-5-6-10(11)14-9/h5-8,12H,3-4H2,1-2H3
InChIKeyFPUYQPFXOKFXCF-UHFFFAOYSA-N
XLogP3.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.75
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(5-chlorothiophen-2-yl)pent-4-yn-1-ol
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1-(5-chlorothiophen-2-yl)-2-(methylamino)ethanol
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1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanol
CID 65150022
1-(5-chlorothiophen-2-yl)-2-(1-methoxycyclobutyl)ethanol
CID 103557536
1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)propan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-4-methoxypentan-1-ol?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-4-methoxypentan-1-ol (CID 105119672) is 1-(5-chlorothiophen-2-yl)-4-methoxypentan-1-ol.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-4-methoxypentan-1-ol?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-4-methoxypentan-1-ol is COC(C)CCC(O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-4-methoxypentan-1-ol?
The InChIKey is FPUYQPFXOKFXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClO2S/c1-7(13-2)3-4-8(12)9-5-6-10(11)14-9/h5-8,12H,3-4H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-4-methoxypentan-1-ol?
1-(5-chlorothiophen-2-yl)-4-methoxypentan-1-ol has a molecular weight of 234.75 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-4-methoxypentan-1-ol is sourced from PubChem (CID 105119672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).