1-(4-bromothiophen-2-yl)undecan-2-ol

C15H25BrOS — CID 115790163

IUPAC1-(4-bromothiophen-2-yl)undecan-2-ol
SMILESCCCCCCCCCC(O)Cc1cc(Br)cs1
InChIInChI=1S/C15H25BrOS/c1-2-3-4-5-6-7-8-9-14(17)11-15-10-13(16)12-18-15/h10,12,14,17H,2-9,11H2,1H3
InChIKeyUADIVMVCGMDGQK-UHFFFAOYSA-N
MW333.34 g/mol
LogP5.55
Rot. Bonds10

About 1-(4-bromothiophen-2-yl)undecan-2-ol

1-(4-bromothiophen-2-yl)undecan-2-ol (PubChem CID 115790163) has the molecular formula C15H25BrOS and a molecular weight of 333.34 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)undecan-2-ol.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)undecan-2-ol
PubChem CID115790163
Molecular FormulaC15H25BrOS
Molecular Weight333.34 g/mol
Exact Mass332.08
IUPAC Name1-(4-bromothiophen-2-yl)undecan-2-ol
SMILESCCCCCCCCCC(O)Cc1cc(Br)cs1
InChIInChI=1S/C15H25BrOS/c1-2-3-4-5-6-7-8-9-14(17)11-15-10-13(16)12-18-15/h10,12,14,17H,2-9,11H2,1H3
InChIKeyUADIVMVCGMDGQK-UHFFFAOYSA-N
XLogP5.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.34
LogP ≤ 55.55
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

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CID 65149568
1-(2-methyl-1,3-thiazol-4-yl)undecan-2-ol
CID 62798439
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CID 115779222
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CID 15775325
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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)undecan-2-ol?
The IUPAC name of 1-(4-bromothiophen-2-yl)undecan-2-ol (CID 115790163) is 1-(4-bromothiophen-2-yl)undecan-2-ol.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)undecan-2-ol?
The canonical SMILES for 1-(4-bromothiophen-2-yl)undecan-2-ol is CCCCCCCCCC(O)Cc1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)undecan-2-ol?
The InChIKey is UADIVMVCGMDGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrOS/c1-2-3-4-5-6-7-8-9-14(17)11-15-10-13(16)12-18-15/h10,12,14,17H,2-9,11H2,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)undecan-2-ol?
1-(4-bromothiophen-2-yl)undecan-2-ol has a molecular weight of 333.34 g/mol, XLogP of 5.55, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)undecan-2-ol is sourced from PubChem (CID 115790163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).