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

C16H16BrFO — CID 114329914

IUPAC(4-bromo-3,5-dimethylphenyl)-(3-fluoro-5-methylphenyl)methanol
SMILESCc1cc(F)cc(C(O)c2cc(C)c(Br)c(C)c2)c1
InChIInChI=1S/C16H16BrFO/c1-9-4-12(8-14(18)5-9)16(19)13-6-10(2)15(17)11(3)7-13/h4-8,16,19H,1-3H3
InChIKeyYPWZBPFIAGDSAQ-UHFFFAOYSA-N
MW323.21 g/mol
LogP4.60
Rot. Bonds2

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

(4-bromo-3,5-dimethylphenyl)-(3-fluoro-5-methylphenyl)methanol (PubChem CID 114329914) has the molecular formula C16H16BrFO and a molecular weight of 323.21 g/mol. Its IUPAC name is (4-bromo-3,5-dimethylphenyl)-(3-fluoro-5-methylphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-3,5-dimethylphenyl)-(3-fluoro-5-methylphenyl)methanol
PubChem CID114329914
Molecular FormulaC16H16BrFO
Molecular Weight323.21 g/mol
Exact Mass322.04
IUPAC Name(4-bromo-3,5-dimethylphenyl)-(3-fluoro-5-methylphenyl)methanol
SMILESCc1cc(F)cc(C(O)c2cc(C)c(Br)c(C)c2)c1
InChIInChI=1S/C16H16BrFO/c1-9-4-12(8-14(18)5-9)16(19)13-6-10(2)15(17)11(3)7-13/h4-8,16,19H,1-3H3
InChIKeyYPWZBPFIAGDSAQ-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-bromo-5-methylphenyl)-(3,5-difluorophenyl)methanol
CID 115793225
[(4-bromo-3,5-dimethylphenyl)-(3-fluoro-5-methylphenyl)methyl]hydrazine
CID 105279605
(2-bromo-3-methylphenyl)-(3-fluoro-5-methylphenyl)methanol
CID 107985786
(4-bromo-3-chlorophenyl)-(3-fluoro-5-methylphenyl)methanol
CID 115823118
(3-bromo-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879416
(4-bromo-3,5-dimethylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 114329952
(3-bromo-5-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 66424633
(5-bromothiophen-2-yl)-(3-fluoro-5-methylphenyl)methanol
CID 79691471
(R)-(3,5-dimethylphenyl)-(4-fluorophenyl)methanol
CID 7154269
(4-bromo-2-methoxyphenyl)-(3-fluoro-5-methylphenyl)methanol
CID 115823095
(3-fluoro-5-methylphenyl)-(3-methoxy-4-methylphenyl)methanol
CID 115823139
[4-(dimethylamino)phenyl]-(3-fluoro-5-methylphenyl)methanol
CID 79692029

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3,5-dimethylphenyl)-(3-fluoro-5-methylphenyl)methanol?
The IUPAC name of (4-bromo-3,5-dimethylphenyl)-(3-fluoro-5-methylphenyl)methanol (CID 114329914) is (4-bromo-3,5-dimethylphenyl)-(3-fluoro-5-methylphenyl)methanol.
What is the SMILES notation for (4-bromo-3,5-dimethylphenyl)-(3-fluoro-5-methylphenyl)methanol?
The canonical SMILES for (4-bromo-3,5-dimethylphenyl)-(3-fluoro-5-methylphenyl)methanol is Cc1cc(F)cc(C(O)c2cc(C)c(Br)c(C)c2)c1.
What is the InChIKey of (4-bromo-3,5-dimethylphenyl)-(3-fluoro-5-methylphenyl)methanol?
The InChIKey is YPWZBPFIAGDSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO/c1-9-4-12(8-14(18)5-9)16(19)13-6-10(2)15(17)11(3)7-13/h4-8,16,19H,1-3H3.
What are the key properties of (4-bromo-3,5-dimethylphenyl)-(3-fluoro-5-methylphenyl)methanol?
(4-bromo-3,5-dimethylphenyl)-(3-fluoro-5-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)-(3-fluoro-5-methylphenyl)methanol is sourced from PubChem (CID 114329914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).