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

C15H13BrF2O — CID 107955673

IUPAC(3-bromo-2-fluorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanol
SMILESCc1cc(C(O)c2cccc(Br)c2F)cc(C)c1F
InChIInChI=1S/C15H13BrF2O/c1-8-6-10(7-9(2)13(8)17)15(19)11-4-3-5-12(16)14(11)18/h3-7,15,19H,1-2H3
InChIKeyCHDDISFDLDQKGT-UHFFFAOYSA-N
MW327.17 g/mol
LogP4.43
Rot. Bonds2

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

(3-bromo-2-fluorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanol (PubChem CID 107955673) has the molecular formula C15H13BrF2O and a molecular weight of 327.17 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanol
PubChem CID107955673
Molecular FormulaC15H13BrF2O
Molecular Weight327.17 g/mol
Exact Mass326.01
IUPAC Name(3-bromo-2-fluorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanol
SMILESCc1cc(C(O)c2cccc(Br)c2F)cc(C)c1F
InChIInChI=1S/C15H13BrF2O/c1-8-6-10(7-9(2)13(8)17)15(19)11-4-3-5-12(16)14(11)18/h3-7,15,19H,1-2H3
InChIKeyCHDDISFDLDQKGT-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-2-fluorophenyl)-(3,5-difluorophenyl)methanol
CID 106644628
(3-bromo-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 106648481
(3-bromo-2-fluorophenyl)-(2,6-dimethylphenyl)methanol
CID 106644550
(3-bromo-2-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanol
CID 106648345
(3-bromo-2-fluorophenyl)-(2-bromo-4-methylphenyl)methanol
CID 106644538
(4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82806466
(3-bromo-2-fluorophenyl)-[4-(methoxymethyl)phenyl]methanol
CID 106644458
1-bromo-4-[bromo-(3-bromo-2-fluorophenyl)methyl]-2,5-dimethylbenzene
CID 107958908
(3-bromo-2-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanol
CID 106644397
(3-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methanol
CID 107955792
(4-bromo-3,5-dimethylphenyl)-(3-bromo-2-fluorophenyl)methanamine
CID 106646192
1-bromo-3-[bromo-(2,5-dimethylphenyl)methyl]-2-fluorobenzene
CID 107958460

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanol?
The IUPAC name of (3-bromo-2-fluorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanol (CID 107955673) is (3-bromo-2-fluorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanol.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanol?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanol is Cc1cc(C(O)c2cccc(Br)c2F)cc(C)c1F.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanol?
The InChIKey is CHDDISFDLDQKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2O/c1-8-6-10(7-9(2)13(8)17)15(19)11-4-3-5-12(16)14(11)18/h3-7,15,19H,1-2H3.
What are the key properties of (3-bromo-2-fluorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanol?
(3-bromo-2-fluorophenyl)-(4-fluoro-3,5-dimethylphenyl)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-2-fluorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanol is sourced from PubChem (CID 107955673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).