1-(4-bromo-3-chloro-5-fluorophenyl)ethanol

C8H7BrClFO — CID 117386872

IUPAC1-(4-bromo-3-chloro-5-fluorophenyl)ethanol
SMILESCC(O)c1cc(F)c(Br)c(Cl)c1
InChIInChI=1S/C8H7BrClFO/c1-4(12)5-2-6(10)8(9)7(11)3-5/h2-4,12H,1H3
InChIKeyMQPPKIUENGSYNW-UHFFFAOYSA-N
MW253.50 g/mol
LogP3.29
Rot. Bonds1

About 1-(4-bromo-3-chloro-5-fluorophenyl)ethanol

1-(4-bromo-3-chloro-5-fluorophenyl)ethanol (PubChem CID 117386872) has the molecular formula C8H7BrClFO and a molecular weight of 253.50 g/mol. Its IUPAC name is 1-(4-bromo-3-chloro-5-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-3-chloro-5-fluorophenyl)ethanol
PubChem CID117386872
Molecular FormulaC8H7BrClFO
Molecular Weight253.50 g/mol
Exact Mass251.94
IUPAC Name1-(4-bromo-3-chloro-5-fluorophenyl)ethanol
SMILESCC(O)c1cc(F)c(Br)c(Cl)c1
InChIInChI=1S/C8H7BrClFO/c1-4(12)5-2-6(10)8(9)7(11)3-5/h2-4,12H,1H3
InChIKeyMQPPKIUENGSYNW-UHFFFAOYSA-N
XLogP3.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.50
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromo-3-chloro-5-fluorophenyl)propanoic acid
CID 117452032
1-(3-bromo-4-chloro-5-fluorophenyl)ethanol
CID 117386869
1-[3-chloro-4,5-bis(methylsulfanyl)phenyl]ethanol
CID 117375050
(1R)-1-(2-bromo-4-chloro-5-fluorophenyl)ethanol
CID 58572415
(1R)-1-[3-bromo-5-[(1R)-1-hydroxyethyl]phenyl]ethanol
CID 101105298
(3-chloro-4-fluorophenyl)-(4-propan-2-ylphenyl)methanol
CID 63094658
(1S)-1-(3-fluoro-4-propan-2-ylphenyl)ethanol
CID 171600588
(1R)-1-(3-bromo-4-chlorophenyl)ethanol
CID 112756230
(1R)-1-[4-(5-bromo-2,3-difluorophenoxy)-3-chlorophenyl]ethanol
CID 107100127
1-[4-(5-bromo-2,3-difluorophenoxy)-3-chlorophenyl]ethanol
CID 107100168
(1S)-1-[4-(5-bromo-2,3-difluorophenoxy)-3-chlorophenyl]ethanol
CID 107100154
2-(4-bromo-3-chloro-5-fluoroanilino)propanenitrile
CID 130542946

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chloro-5-fluorophenyl)ethanol?
The IUPAC name of 1-(4-bromo-3-chloro-5-fluorophenyl)ethanol (CID 117386872) is 1-(4-bromo-3-chloro-5-fluorophenyl)ethanol.
What is the SMILES notation for 1-(4-bromo-3-chloro-5-fluorophenyl)ethanol?
The canonical SMILES for 1-(4-bromo-3-chloro-5-fluorophenyl)ethanol is CC(O)c1cc(F)c(Br)c(Cl)c1.
What is the InChIKey of 1-(4-bromo-3-chloro-5-fluorophenyl)ethanol?
The InChIKey is MQPPKIUENGSYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClFO/c1-4(12)5-2-6(10)8(9)7(11)3-5/h2-4,12H,1H3.
What are the key properties of 1-(4-bromo-3-chloro-5-fluorophenyl)ethanol?
1-(4-bromo-3-chloro-5-fluorophenyl)ethanol has a molecular weight of 253.50 g/mol, XLogP of 3.29, 1 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-5-fluorophenyl)ethanol is sourced from PubChem (CID 117386872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).