1-(4-bromo-3-chloro-2-fluorophenyl)hexan-1-ol

C12H15BrClFO — CID 106761382

IUPAC1-(4-bromo-3-chloro-2-fluorophenyl)hexan-1-ol
SMILESCCCCCC(O)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C12H15BrClFO/c1-2-3-4-5-10(16)8-6-7-9(13)11(14)12(8)15/h6-7,10,16H,2-5H2,1H3
InChIKeyQZUNBCIDUNMAFB-UHFFFAOYSA-N
MW309.61 g/mol
LogP4.86
Rot. Bonds5

About 1-(4-bromo-3-chloro-2-fluorophenyl)hexan-1-ol

1-(4-bromo-3-chloro-2-fluorophenyl)hexan-1-ol (PubChem CID 106761382) has the molecular formula C12H15BrClFO and a molecular weight of 309.61 g/mol. Its IUPAC name is 1-(4-bromo-3-chloro-2-fluorophenyl)hexan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-3-chloro-2-fluorophenyl)hexan-1-ol
PubChem CID106761382
Molecular FormulaC12H15BrClFO
Molecular Weight309.61 g/mol
Exact Mass308.00
IUPAC Name1-(4-bromo-3-chloro-2-fluorophenyl)hexan-1-ol
SMILESCCCCCC(O)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C12H15BrClFO/c1-2-3-4-5-10(16)8-6-7-9(13)11(14)12(8)15/h6-7,10,16H,2-5H2,1H3
InChIKeyQZUNBCIDUNMAFB-UHFFFAOYSA-N
XLogP4.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.61
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-3-chloro-2-fluorophenyl)-N-methylheptan-1-amine
CID 106764947
1-(4-bromo-3-chloro-2-fluorophenyl)-N-ethylhexan-1-amine
CID 106764869
1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylsulfonylethanol
CID 106765069
1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylsulfanylethanol
CID 106762014
1-(2-bromo-4-fluorophenyl)hexan-1-ol
CID 115784379
1-(2-chloro-3-fluorophenyl)hexan-1-ol
CID 115784419
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(tert-butylamino)ethanol
CID 106763745
1-(4-bromo-3-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 106762188
1-(4-bromo-2-fluorophenyl)hexan-1-ol
CID 65148094
1-(4-bromo-3-chloro-2-fluorophenyl)-2-pyridin-4-ylethanol
CID 106762011
1-(3-bromo-2,6-difluorophenyl)decan-1-ol
CID 106945067
1-(2-fluoro-3-methylphenyl)undecan-1-ol
CID 115789168

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chloro-2-fluorophenyl)hexan-1-ol?
The IUPAC name of 1-(4-bromo-3-chloro-2-fluorophenyl)hexan-1-ol (CID 106761382) is 1-(4-bromo-3-chloro-2-fluorophenyl)hexan-1-ol.
What is the SMILES notation for 1-(4-bromo-3-chloro-2-fluorophenyl)hexan-1-ol?
The canonical SMILES for 1-(4-bromo-3-chloro-2-fluorophenyl)hexan-1-ol is CCCCCC(O)c1ccc(Br)c(Cl)c1F.
What is the InChIKey of 1-(4-bromo-3-chloro-2-fluorophenyl)hexan-1-ol?
The InChIKey is QZUNBCIDUNMAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClFO/c1-2-3-4-5-10(16)8-6-7-9(13)11(14)12(8)15/h6-7,10,16H,2-5H2,1H3.
What are the key properties of 1-(4-bromo-3-chloro-2-fluorophenyl)hexan-1-ol?
1-(4-bromo-3-chloro-2-fluorophenyl)hexan-1-ol has a molecular weight of 309.61 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chloro-2-fluorophenyl)hexan-1-ol is sourced from PubChem (CID 106761382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).