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

C12H16BrFO2 — CID 116710912

IUPAC1-(4-bromo-2-fluorophenyl)-3-methoxypentan-2-ol
SMILESCCC(OC)C(O)Cc1ccc(Br)cc1F
InChIInChI=1S/C12H16BrFO2/c1-3-12(16-2)11(15)6-8-4-5-9(13)7-10(8)14/h4-5,7,11-12,15H,3,6H2,1-2H3
InChIKeyAYFNUWCIQZXJQB-UHFFFAOYSA-N
MW291.16 g/mol
LogP2.92
Rot. Bonds5

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

1-(4-bromo-2-fluorophenyl)-3-methoxypentan-2-ol (PubChem CID 116710912) has the molecular formula C12H16BrFO2 and a molecular weight of 291.16 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-3-methoxypentan-2-ol.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-3-methoxypentan-2-ol
PubChem CID116710912
Molecular FormulaC12H16BrFO2
Molecular Weight291.16 g/mol
Exact Mass290.03
IUPAC Name1-(4-bromo-2-fluorophenyl)-3-methoxypentan-2-ol
SMILESCCC(OC)C(O)Cc1ccc(Br)cc1F
InChIInChI=1S/C12H16BrFO2/c1-3-12(16-2)11(15)6-8-4-5-9(13)7-10(8)14/h4-5,7,11-12,15H,3,6H2,1-2H3
InChIKeyAYFNUWCIQZXJQB-UHFFFAOYSA-N
XLogP2.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

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Related Compounds

1-(4-bromo-2-fluorophenyl)-3-ethylpentan-2-ol
CID 65148579
1-(4-bromo-2-fluorophenyl)-3-methoxy-N-methylpentan-2-amine
CID 116715352
(2S)-1-(4-bromo-2-fluorophenyl)butan-2-ol
CID 94505320
3-(4-bromo-2-fluorophenyl)-1,1-diethoxypropan-2-ol
CID 79495756
1-(4-bromo-2-fluorophenyl)-3-ethylheptan-2-ol
CID 115788477
3-[(4-bromo-2-fluorophenyl)methyl]pentan-2-amine
CID 61000121
1-(4-bromo-2-fluorophenyl)-5-methoxypentan-2-ol
CID 65092198
2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol
CID 116710611
2-(4-bromo-2-fluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol
CID 116755725
2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclohexyl)ethanol
CID 116753489
1-(4-aminophenyl)-2-(4-bromo-2-fluorophenyl)ethanol
CID 106695442
1-(5-bromo-2-fluorophenyl)-2-methoxybutan-1-amine
CID 116715091

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-methoxypentan-2-ol?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-methoxypentan-2-ol (CID 116710912) is 1-(4-bromo-2-fluorophenyl)-3-methoxypentan-2-ol.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-3-methoxypentan-2-ol?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-3-methoxypentan-2-ol is CCC(OC)C(O)Cc1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-3-methoxypentan-2-ol?
The InChIKey is AYFNUWCIQZXJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFO2/c1-3-12(16-2)11(15)6-8-4-5-9(13)7-10(8)14/h4-5,7,11-12,15H,3,6H2,1-2H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-3-methoxypentan-2-ol?
1-(4-bromo-2-fluorophenyl)-3-methoxypentan-2-ol has a molecular weight of 291.16 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-3-methoxypentan-2-ol is sourced from PubChem (CID 116710912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).