(3-bromo-4-methylphenyl)-(2,5-difluoro-4-methylphenyl)methanol

C15H13BrF2O — CID 81475821

IUPAC(3-bromo-4-methylphenyl)-(2,5-difluoro-4-methylphenyl)methanol
SMILESCc1cc(F)c(C(O)c2ccc(C)c(Br)c2)cc1F
InChIInChI=1S/C15H13BrF2O/c1-8-3-4-10(6-12(8)16)15(19)11-7-13(17)9(2)5-14(11)18/h3-7,15,19H,1-2H3
InChIKeyMAYAAYNGTBUKDF-UHFFFAOYSA-N
MW327.17 g/mol
LogP4.43
Rot. Bonds2

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

(3-bromo-4-methylphenyl)-(2,5-difluoro-4-methylphenyl)methanol (PubChem CID 81475821) has the molecular formula C15H13BrF2O and a molecular weight of 327.17 g/mol. Its IUPAC name is (3-bromo-4-methylphenyl)-(2,5-difluoro-4-methylphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-methylphenyl)-(2,5-difluoro-4-methylphenyl)methanol
PubChem CID81475821
Molecular FormulaC15H13BrF2O
Molecular Weight327.17 g/mol
Exact Mass326.01
IUPAC Name(3-bromo-4-methylphenyl)-(2,5-difluoro-4-methylphenyl)methanol
SMILESCc1cc(F)c(C(O)c2ccc(C)c(Br)c2)cc1F
InChIInChI=1S/C15H13BrF2O/c1-8-3-4-10(6-12(8)16)15(19)11-7-13(17)9(2)5-14(11)18/h3-7,15,19H,1-2H3
InChIKeyMAYAAYNGTBUKDF-UHFFFAOYSA-N
XLogP4.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-4-fluorophenyl)-(2,5-difluoro-4-methylphenyl)methanol
CID 107955698
(3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanol
CID 81476067
(3-bromo-4-methylphenyl)-(2-chloro-5-fluorophenyl)methanol
CID 105397627
(4-bromo-2,5-dimethylphenyl)-(3-bromo-4-fluorophenyl)methanol
CID 107955646
(5-bromo-2-fluorophenyl)-(4-bromo-3-methylphenyl)methanol
CID 81447497
1-[(3-bromo-4-methylphenyl)-chloromethyl]-2,4-difluoro-5-methylbenzene
CID 81476007
(4-bromo-5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 105399490
(3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanol
CID 115791704
(2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 62802735
(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 79747556
(2,4-difluoro-5-methylphenyl)-(4-iodophenyl)methanol
CID 79731098
(3-bromo-4-methylphenyl)-(4-methylnaphthalen-1-yl)methanol
CID 81460126

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methylphenyl)-(2,5-difluoro-4-methylphenyl)methanol?
The IUPAC name of (3-bromo-4-methylphenyl)-(2,5-difluoro-4-methylphenyl)methanol (CID 81475821) is (3-bromo-4-methylphenyl)-(2,5-difluoro-4-methylphenyl)methanol.
What is the SMILES notation for (3-bromo-4-methylphenyl)-(2,5-difluoro-4-methylphenyl)methanol?
The canonical SMILES for (3-bromo-4-methylphenyl)-(2,5-difluoro-4-methylphenyl)methanol is Cc1cc(F)c(C(O)c2ccc(C)c(Br)c2)cc1F.
What is the InChIKey of (3-bromo-4-methylphenyl)-(2,5-difluoro-4-methylphenyl)methanol?
The InChIKey is MAYAAYNGTBUKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2O/c1-8-3-4-10(6-12(8)16)15(19)11-7-13(17)9(2)5-14(11)18/h3-7,15,19H,1-2H3.
What are the key properties of (3-bromo-4-methylphenyl)-(2,5-difluoro-4-methylphenyl)methanol?
(3-bromo-4-methylphenyl)-(2,5-difluoro-4-methylphenyl)methanol has a molecular weight of 327.17 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methylphenyl)-(2,5-difluoro-4-methylphenyl)methanol is sourced from PubChem (CID 81475821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).