(4-bromo-3,5-dimethylphenyl)-(5-fluoro-2-methylphenyl)methanol

C16H16BrFO — CID 114329952

IUPAC(4-bromo-3,5-dimethylphenyl)-(5-fluoro-2-methylphenyl)methanol
SMILESCc1ccc(F)cc1C(O)c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C16H16BrFO/c1-9-4-5-13(18)8-14(9)16(19)12-6-10(2)15(17)11(3)7-12/h4-8,16,19H,1-3H3
InChIKeySNIMEKXZAZTMJF-UHFFFAOYSA-N
MW323.21 g/mol
LogP4.60
Rot. Bonds2

About (4-bromo-3,5-dimethylphenyl)-(5-fluoro-2-methylphenyl)methanol

(4-bromo-3,5-dimethylphenyl)-(5-fluoro-2-methylphenyl)methanol (PubChem CID 114329952) has the molecular formula C16H16BrFO and a molecular weight of 323.21 g/mol. Its IUPAC name is (4-bromo-3,5-dimethylphenyl)-(5-fluoro-2-methylphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-3,5-dimethylphenyl)-(5-fluoro-2-methylphenyl)methanol
PubChem CID114329952
Molecular FormulaC16H16BrFO
Molecular Weight323.21 g/mol
Exact Mass322.04
IUPAC Name(4-bromo-3,5-dimethylphenyl)-(5-fluoro-2-methylphenyl)methanol
SMILESCc1ccc(F)cc1C(O)c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C16H16BrFO/c1-9-4-5-13(18)8-14(9)16(19)12-6-10(2)15(17)11(3)7-12/h4-8,16,19H,1-3H3
InChIKeySNIMEKXZAZTMJF-UHFFFAOYSA-N
XLogP4.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-fluoro-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 62789611
(2-bromo-3-methylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 114024273
(4-chloro-3-methylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 115793761
(4-chlorophenyl)-(5-fluoro-2-methylphenyl)methanol
CID 55133948
[4-bromo-2-(trifluoromethyl)phenyl]-(5-fluoro-2-methylphenyl)methanol
CID 62789466
(4-bromo-3,5-dimethylphenyl)-(3-fluoro-5-methylphenyl)methanol
CID 114329914
(5-fluoro-2-methylphenyl)-(2,4,6-trifluorophenyl)methanol
CID 63049832
(3-bromo-4-methylphenyl)-(2-chloro-5-fluorophenyl)methanol
CID 105397627
(5-fluoro-2-methylphenyl)-pyridin-3-ylmethanol
CID 62388574
(4,5-dibromothiophen-2-yl)-(5-fluoro-2-methylphenyl)methanol
CID 80535288
(5-fluoro-2-methylphenyl)-(5-iodothiophen-3-yl)methanol
CID 115793727
(2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 62802735

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3,5-dimethylphenyl)-(5-fluoro-2-methylphenyl)methanol?
The IUPAC name of (4-bromo-3,5-dimethylphenyl)-(5-fluoro-2-methylphenyl)methanol (CID 114329952) is (4-bromo-3,5-dimethylphenyl)-(5-fluoro-2-methylphenyl)methanol.
What is the SMILES notation for (4-bromo-3,5-dimethylphenyl)-(5-fluoro-2-methylphenyl)methanol?
The canonical SMILES for (4-bromo-3,5-dimethylphenyl)-(5-fluoro-2-methylphenyl)methanol is Cc1ccc(F)cc1C(O)c1cc(C)c(Br)c(C)c1.
What is the InChIKey of (4-bromo-3,5-dimethylphenyl)-(5-fluoro-2-methylphenyl)methanol?
The InChIKey is SNIMEKXZAZTMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO/c1-9-4-5-13(18)8-14(9)16(19)12-6-10(2)15(17)11(3)7-12/h4-8,16,19H,1-3H3.
What are the key properties of (4-bromo-3,5-dimethylphenyl)-(5-fluoro-2-methylphenyl)methanol?
(4-bromo-3,5-dimethylphenyl)-(5-fluoro-2-methylphenyl)methanol has a molecular weight of 323.21 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3,5-dimethylphenyl)-(5-fluoro-2-methylphenyl)methanol is sourced from PubChem (CID 114329952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).