1-(4-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol

C16H16BrFO — CID 105372954

IUPAC1-(4-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
SMILESCc1cc(C(O)Cc2cc(F)ccc2C)ccc1Br
InChIInChI=1S/C16H16BrFO/c1-10-3-5-14(18)8-13(10)9-16(19)12-4-6-15(17)11(2)7-12/h3-8,16,19H,9H2,1-2H3
InChIKeyVBOLFFJDUOZWIO-UHFFFAOYSA-N
MW323.21 g/mol
LogP4.48
Rot. Bonds3

About 1-(4-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol

1-(4-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol (PubChem CID 105372954) has the molecular formula C16H16BrFO and a molecular weight of 323.21 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
PubChem CID105372954
Molecular FormulaC16H16BrFO
Molecular Weight323.21 g/mol
Exact Mass322.04
IUPAC Name1-(4-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
SMILESCc1cc(C(O)Cc2cc(F)ccc2C)ccc1Br
InChIInChI=1S/C16H16BrFO/c1-10-3-5-14(18)8-13(10)9-16(19)12-4-6-15(17)11(2)7-12/h3-8,16,19H,9H2,1-2H3
InChIKeyVBOLFFJDUOZWIO-UHFFFAOYSA-N
XLogP4.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-5-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105373495
1-(3,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372805
2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 105372798
1-(2-bromo-4-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105377660
2-(2-bromo-5-fluorophenyl)-1-(4-methylphenyl)ethanol
CID 62608724
1-(4-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 112653147
1-(4-tert-butylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372779
1-(3-bromo-4-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 114346820
1-(4-bromo-5-methylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 102829639
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372772
2-(2-bromo-5-fluorophenyl)-1-(3-bromophenyl)ethanol
CID 62606497
1-(4-bromo-3-methylphenyl)-2-(2-chlorophenyl)ethanol
CID 81447481

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol (CID 105372954) is 1-(4-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol is Cc1cc(C(O)Cc2cc(F)ccc2C)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol?
The InChIKey is VBOLFFJDUOZWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO/c1-10-3-5-14(18)8-13(10)9-16(19)12-4-6-15(17)11(2)7-12/h3-8,16,19H,9H2,1-2H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol?
1-(4-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol has a molecular weight of 323.21 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol is sourced from PubChem (CID 105372954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).