1-(5-bromo-4-chlorothiophen-2-yl)-3-methylpentan-1-ol

C10H14BrClOS — CID 114875966

IUPAC1-(5-bromo-4-chlorothiophen-2-yl)-3-methylpentan-1-ol
SMILESCCC(C)CC(O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C10H14BrClOS/c1-3-6(2)4-8(13)9-5-7(12)10(11)14-9/h5-6,8,13H,3-4H2,1-2H3
InChIKeyGDLBLNTWUCHBDA-UHFFFAOYSA-N
MW297.65 g/mol
LogP4.63
Rot. Bonds4

About 1-(5-bromo-4-chlorothiophen-2-yl)-3-methylpentan-1-ol

1-(5-bromo-4-chlorothiophen-2-yl)-3-methylpentan-1-ol (PubChem CID 114875966) has the molecular formula C10H14BrClOS and a molecular weight of 297.65 g/mol. Its IUPAC name is 1-(5-bromo-4-chlorothiophen-2-yl)-3-methylpentan-1-ol.

Molecular Properties

Compound Name1-(5-bromo-4-chlorothiophen-2-yl)-3-methylpentan-1-ol
PubChem CID114875966
Molecular FormulaC10H14BrClOS
Molecular Weight297.65 g/mol
Exact Mass295.96
IUPAC Name1-(5-bromo-4-chlorothiophen-2-yl)-3-methylpentan-1-ol
SMILESCCC(C)CC(O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C10H14BrClOS/c1-3-6(2)4-8(13)9-5-7(12)10(11)14-9/h5-6,8,13H,3-4H2,1-2H3
InChIKeyGDLBLNTWUCHBDA-UHFFFAOYSA-N
XLogP4.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.65
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-4-chlorothiophen-2-yl)-3,4,4-trimethylpentan-1-ol
CID 80532259
1-(5-bromo-4-chlorothiophen-2-yl)-N,3-dimethylpentan-1-amine
CID 114874548
1-(5-bromo-4-chlorothiophen-2-yl)-4-methylpentan-1-ol
CID 80532143
2-bromo-3-chloro-5-(1-chloropropyl)thiophene
CID 80533388
1-(5-bromo-4-chlorothiophen-2-yl)-2-methylbutan-1-amine
CID 80530869
1-(5-bromo-4-chlorothiophen-2-yl)-2-ethyl-N-methylbutan-1-amine
CID 80530973
1-(5-bromo-4-chlorothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanol
CID 80531983
1-(5-bromo-4-chlorothiophen-2-yl)-2-(3,4-dimethylphenyl)ethanol
CID 80533300
1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclobutylethanol
CID 103165500
2,3-dibromo-5-(1-bromo-3-methylpentyl)thiophene
CID 114876229
1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-fluorophenyl)ethanol
CID 80532302
1-(5-bromo-4-chlorothiophen-2-yl)pentan-1-amine
CID 80531015

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-3-methylpentan-1-ol?
The IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-3-methylpentan-1-ol (CID 114875966) is 1-(5-bromo-4-chlorothiophen-2-yl)-3-methylpentan-1-ol.
What is the SMILES notation for 1-(5-bromo-4-chlorothiophen-2-yl)-3-methylpentan-1-ol?
The canonical SMILES for 1-(5-bromo-4-chlorothiophen-2-yl)-3-methylpentan-1-ol is CCC(C)CC(O)c1cc(Cl)c(Br)s1.
What is the InChIKey of 1-(5-bromo-4-chlorothiophen-2-yl)-3-methylpentan-1-ol?
The InChIKey is GDLBLNTWUCHBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrClOS/c1-3-6(2)4-8(13)9-5-7(12)10(11)14-9/h5-6,8,13H,3-4H2,1-2H3.
What are the key properties of 1-(5-bromo-4-chlorothiophen-2-yl)-3-methylpentan-1-ol?
1-(5-bromo-4-chlorothiophen-2-yl)-3-methylpentan-1-ol has a molecular weight of 297.65 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-chlorothiophen-2-yl)-3-methylpentan-1-ol is sourced from PubChem (CID 114875966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).