(2-bromo-4-methylphenyl)-(2-ethyl-4-fluorophenyl)methanol

C16H16BrFO — CID 139494007

IUPAC(2-bromo-4-methylphenyl)-(2-ethyl-4-fluorophenyl)methanol
SMILESCCc1cc(F)ccc1C(O)c1ccc(C)cc1Br
InChIInChI=1S/C16H16BrFO/c1-3-11-9-12(18)5-7-13(11)16(19)14-6-4-10(2)8-15(14)17/h4-9,16,19H,3H2,1-2H3
InChIKeyIEQALEKKTTWTIN-UHFFFAOYSA-N
MW323.21 g/mol
LogP4.54
Rot. Bonds3

About (2-bromo-4-methylphenyl)-(2-ethyl-4-fluorophenyl)methanol

(2-bromo-4-methylphenyl)-(2-ethyl-4-fluorophenyl)methanol (PubChem CID 139494007) has the molecular formula C16H16BrFO and a molecular weight of 323.21 g/mol. Its IUPAC name is (2-bromo-4-methylphenyl)-(2-ethyl-4-fluorophenyl)methanol.

Molecular Properties

Compound Name(2-bromo-4-methylphenyl)-(2-ethyl-4-fluorophenyl)methanol
PubChem CID139494007
Molecular FormulaC16H16BrFO
Molecular Weight323.21 g/mol
Exact Mass322.04
IUPAC Name(2-bromo-4-methylphenyl)-(2-ethyl-4-fluorophenyl)methanol
SMILESCCc1cc(F)ccc1C(O)c1ccc(C)cc1Br
InChIInChI=1S/C16H16BrFO/c1-3-11-9-12(18)5-7-13(11)16(19)14-6-4-10(2)8-15(14)17/h4-9,16,19H,3H2,1-2H3
InChIKeyIEQALEKKTTWTIN-UHFFFAOYSA-N
XLogP4.54
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 ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-ethyl-4-fluorophenyl)-(4-fluorophenyl)methanol
CID 146466403
(3-bromo-2-fluorophenyl)-(2-bromo-4-methylphenyl)methanol
CID 106644538
(2-bromo-4-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 134514503
(2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 115836356
1-(2-bromo-4-methylphenyl)-2-(2-chloro-5-fluorophenyl)-N-ethylethanamine
CID 102622698
1-(2-bromo-4-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105377660
2-(2-bromo-4-fluorophenyl)-1-(2,4-dimethylphenyl)ethanol
CID 65148185
(2-bromo-5-methylphenyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 81111399
(2-bromo-4-ethylsulfonylphenyl)-(2-chloro-4-fluorophenyl)methanol
CID 146240600
N-[(2-bromo-4-methylphenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115851889
(1S)-1-(2-bromo-4-fluorophenyl)butan-1-ol
CID 103920530
(2,4-dibromophenyl)-(2,4-dimethylphenyl)methanol
CID 107947470

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-methylphenyl)-(2-ethyl-4-fluorophenyl)methanol?
The IUPAC name of (2-bromo-4-methylphenyl)-(2-ethyl-4-fluorophenyl)methanol (CID 139494007) is (2-bromo-4-methylphenyl)-(2-ethyl-4-fluorophenyl)methanol.
What is the SMILES notation for (2-bromo-4-methylphenyl)-(2-ethyl-4-fluorophenyl)methanol?
The canonical SMILES for (2-bromo-4-methylphenyl)-(2-ethyl-4-fluorophenyl)methanol is CCc1cc(F)ccc1C(O)c1ccc(C)cc1Br.
What is the InChIKey of (2-bromo-4-methylphenyl)-(2-ethyl-4-fluorophenyl)methanol?
The InChIKey is IEQALEKKTTWTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO/c1-3-11-9-12(18)5-7-13(11)16(19)14-6-4-10(2)8-15(14)17/h4-9,16,19H,3H2,1-2H3.
What are the key properties of (2-bromo-4-methylphenyl)-(2-ethyl-4-fluorophenyl)methanol?
(2-bromo-4-methylphenyl)-(2-ethyl-4-fluorophenyl)methanol has a molecular weight of 323.21 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-methylphenyl)-(2-ethyl-4-fluorophenyl)methanol is sourced from PubChem (CID 139494007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).