1-(4,5-dibromothiophen-2-yl)octan-1-ol

C12H18Br2OS — CID 80535373

IUPAC1-(4,5-dibromothiophen-2-yl)octan-1-ol
SMILESCCCCCCCC(O)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H18Br2OS/c1-2-3-4-5-6-7-10(15)11-8-9(13)12(14)16-11/h8,10,15H,2-7H2,1H3
InChIKeyRCUHXALQAOVPPU-UHFFFAOYSA-N
MW370.15 g/mol
LogP5.67
Rot. Bonds7

About 1-(4,5-dibromothiophen-2-yl)octan-1-ol

1-(4,5-dibromothiophen-2-yl)octan-1-ol (PubChem CID 80535373) has the molecular formula C12H18Br2OS and a molecular weight of 370.15 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)octan-1-ol.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)octan-1-ol
PubChem CID80535373
Molecular FormulaC12H18Br2OS
Molecular Weight370.15 g/mol
Exact Mass367.94
IUPAC Name1-(4,5-dibromothiophen-2-yl)octan-1-ol
SMILESCCCCCCCC(O)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H18Br2OS/c1-2-3-4-5-6-7-10(15)11-8-9(13)12(14)16-11/h8,10,15H,2-7H2,1H3
InChIKeyRCUHXALQAOVPPU-UHFFFAOYSA-N
XLogP5.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.15
LogP ≤ 55.67
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-(4,5-dibromothiophen-2-yl)heptan-1-ol
CID 114753442
2,3-dibromo-5-(1-bromododecyl)thiophene
CID 80534369
1-(4,5-dibromothiophen-2-yl)decylhydrazine
CID 105293426
1-(4,5-dibromothiophen-2-yl)-N-methylundecan-1-amine
CID 115845955
1-(4,5-dibromothiophen-2-yl)-4-methoxybutan-1-ol
CID 115839601
1-(4-bromo-5-methylthiophen-2-yl)pentan-1-ol
CID 102829531
3-amino-1-(4,5-dibromothiophen-2-yl)propan-1-ol
CID 80538163
1-(4,5-dibromothiophen-2-yl)-N-propylheptan-1-amine
CID 114752623
1-(4,5-dibromothiophen-2-yl)-N-propyloctan-1-amine
CID 80535572
(1S)-1-(4,5-dibromothiophen-2-yl)pentan-1-amine
CID 171235173
1-(4,5-dibromothiophen-2-yl)-N-ethylpentan-1-amine
CID 80533934
1-(1-benzothiophen-2-yl)nonan-1-ol
CID 115784008

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)octan-1-ol?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)octan-1-ol (CID 80535373) is 1-(4,5-dibromothiophen-2-yl)octan-1-ol.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)octan-1-ol?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)octan-1-ol is CCCCCCCC(O)c1cc(Br)c(Br)s1.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)octan-1-ol?
The InChIKey is RCUHXALQAOVPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Br2OS/c1-2-3-4-5-6-7-10(15)11-8-9(13)12(14)16-11/h8,10,15H,2-7H2,1H3.
What are the key properties of 1-(4,5-dibromothiophen-2-yl)octan-1-ol?
1-(4,5-dibromothiophen-2-yl)octan-1-ol has a molecular weight of 370.15 g/mol, XLogP of 5.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromothiophen-2-yl)octan-1-ol is sourced from PubChem (CID 80535373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).