1-(5-bromo-2-fluorophenyl)-1-(2-methylphenyl)ethanol

C15H14BrFO — CID 79743593

IUPAC1-(5-bromo-2-fluorophenyl)-1-(2-methylphenyl)ethanol
SMILESCc1ccccc1C(C)(O)c1cc(Br)ccc1F
InChIInChI=1S/C15H14BrFO/c1-10-5-3-4-6-12(10)15(2,18)13-9-11(16)7-8-14(13)17/h3-9,18H,1-2H3
InChIKeyKPKFQMWCALATCJ-UHFFFAOYSA-N
MW309.18 g/mol
LogP4.15
Rot. Bonds2

About 1-(5-bromo-2-fluorophenyl)-1-(2-methylphenyl)ethanol

1-(5-bromo-2-fluorophenyl)-1-(2-methylphenyl)ethanol (PubChem CID 79743593) has the molecular formula C15H14BrFO and a molecular weight of 309.18 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-1-(2-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-1-(2-methylphenyl)ethanol
PubChem CID79743593
Molecular FormulaC15H14BrFO
Molecular Weight309.18 g/mol
Exact Mass308.02
IUPAC Name1-(5-bromo-2-fluorophenyl)-1-(2-methylphenyl)ethanol
SMILESCc1ccccc1C(C)(O)c1cc(Br)ccc1F
InChIInChI=1S/C15H14BrFO/c1-10-5-3-4-6-12(10)15(2,18)13-9-11(16)7-8-14(13)17/h3-9,18H,1-2H3
InChIKeyKPKFQMWCALATCJ-UHFFFAOYSA-N
XLogP4.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-2-fluorophenyl)-1-(2-methoxyphenyl)ethanol
CID 79743336
1-(5-bromo-2-fluorophenyl)-1-(3-methylthiophen-2-yl)ethanol
CID 79742355
1-(2,4-dimethylphenyl)-1-(2-fluorophenyl)ethanol
CID 55120280
2-(5-bromo-2-fluorophenyl)-2-(2-methylanilino)propanamide
CID 82956528
1-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 83125325
(1R)-1-amino-1-(5-bromo-2-fluorophenyl)propan-1-ol
CID 172687592
1-(5-bromo-2-fluorophenyl)-1,1-difluoro-2-methylpropan-2-amine
CID 116839454
1-[[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]amino]-2-methylpropan-2-ol
CID 115137230
2-(5-bromo-2-fluorophenyl)-N,2-dimethylpropanehydrazide
CID 116845964
1-(5-fluoro-2-methoxyphenyl)-1-(2-methylphenyl)ethanol
CID 82770234
ethyl 3-(5-bromo-2-fluorophenyl)-3-hydroxy-2,2-dimethylbutanoate
CID 82973567
1-(2-fluorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 62802798

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-1-(2-methylphenyl)ethanol?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-1-(2-methylphenyl)ethanol (CID 79743593) is 1-(5-bromo-2-fluorophenyl)-1-(2-methylphenyl)ethanol.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-1-(2-methylphenyl)ethanol?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-1-(2-methylphenyl)ethanol is Cc1ccccc1C(C)(O)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-1-(2-methylphenyl)ethanol?
The InChIKey is KPKFQMWCALATCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO/c1-10-5-3-4-6-12(10)15(2,18)13-9-11(16)7-8-14(13)17/h3-9,18H,1-2H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-1-(2-methylphenyl)ethanol?
1-(5-bromo-2-fluorophenyl)-1-(2-methylphenyl)ethanol has a molecular weight of 309.18 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-1-(2-methylphenyl)ethanol is sourced from PubChem (CID 79743593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).