1-(3-bromo-4-fluorophenyl)-5-methoxypentan-2-ol

C12H16BrFO2 — CID 65092433

IUPAC1-(3-bromo-4-fluorophenyl)-5-methoxypentan-2-ol
SMILESCOCCCC(O)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C12H16BrFO2/c1-16-6-2-3-10(15)7-9-4-5-12(14)11(13)8-9/h4-5,8,10,15H,2-3,6-7H2,1H3
InChIKeyROPUUKUUGYZJAE-UHFFFAOYSA-N
MW291.16 g/mol
LogP2.92
Rot. Bonds6

About 1-(3-bromo-4-fluorophenyl)-5-methoxypentan-2-ol

1-(3-bromo-4-fluorophenyl)-5-methoxypentan-2-ol (PubChem CID 65092433) has the molecular formula C12H16BrFO2 and a molecular weight of 291.16 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-5-methoxypentan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-5-methoxypentan-2-ol
PubChem CID65092433
Molecular FormulaC12H16BrFO2
Molecular Weight291.16 g/mol
Exact Mass290.03
IUPAC Name1-(3-bromo-4-fluorophenyl)-5-methoxypentan-2-ol
SMILESCOCCCC(O)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C12H16BrFO2/c1-16-6-2-3-10(15)7-9-4-5-12(14)11(13)8-9/h4-5,8,10,15H,2-3,6-7H2,1H3
InChIKeyROPUUKUUGYZJAE-UHFFFAOYSA-N
XLogP2.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.16
LogP ≤ 52.92
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-(3-bromo-4-fluorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 105224905
1-(4-bromophenyl)-5-methoxypentan-2-ol
CID 62608729
1-(3-bromo-4-fluorophenyl)-4-methylsulfanylbutan-2-ol
CID 63901398
1-(3-bromo-4-fluorophenyl)-5,5,5-trifluoropentan-2-ol
CID 79954757
1-(3,5-difluorophenyl)-5-methoxypentan-2-ol
CID 115601584
1-(3-bromo-4-fluorophenyl)-4-methoxy-4-methylpentan-2-ol
CID 103027437
1-(4-bromo-2-fluorophenyl)-5-methoxypentan-2-ol
CID 65092198
4-[(3-bromo-4-fluorophenyl)methylamino]-1-methoxybutan-2-ol
CID 103876406
1-(3-chlorophenyl)-5-methoxypentan-2-ol
CID 62608166
1-(2-bromo-5-methoxyphenyl)-5-methoxypentan-2-ol
CID 65325734
1-(2-fluorophenyl)-5-methoxypentan-2-ol
CID 62606164
N'-[(3-bromo-4-fluorophenyl)methyl]-N-(2-methoxyethyl)propane-1,3-diamine
CID 107951104

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-5-methoxypentan-2-ol?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-5-methoxypentan-2-ol (CID 65092433) is 1-(3-bromo-4-fluorophenyl)-5-methoxypentan-2-ol.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-5-methoxypentan-2-ol?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-5-methoxypentan-2-ol is COCCCC(O)Cc1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-5-methoxypentan-2-ol?
The InChIKey is ROPUUKUUGYZJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFO2/c1-16-6-2-3-10(15)7-9-4-5-12(14)11(13)8-9/h4-5,8,10,15H,2-3,6-7H2,1H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-5-methoxypentan-2-ol?
1-(3-bromo-4-fluorophenyl)-5-methoxypentan-2-ol has a molecular weight of 291.16 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-5-methoxypentan-2-ol is sourced from PubChem (CID 65092433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).