(3-bromo-2-fluorophenyl)-(2,6-dimethylphenyl)methanol

C15H14BrFO — CID 106644550

IUPAC(3-bromo-2-fluorophenyl)-(2,6-dimethylphenyl)methanol
SMILESCc1cccc(C)c1C(O)c1cccc(Br)c1F
InChIInChI=1S/C15H14BrFO/c1-9-5-3-6-10(2)13(9)15(18)11-7-4-8-12(16)14(11)17/h3-8,15,18H,1-2H3
InChIKeyMXSSJUZINRACKC-UHFFFAOYSA-N
MW309.18 g/mol
LogP4.29
Rot. Bonds2

About (3-bromo-2-fluorophenyl)-(2,6-dimethylphenyl)methanol

(3-bromo-2-fluorophenyl)-(2,6-dimethylphenyl)methanol (PubChem CID 106644550) has the molecular formula C15H14BrFO and a molecular weight of 309.18 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(2,6-dimethylphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(2,6-dimethylphenyl)methanol
PubChem CID106644550
Molecular FormulaC15H14BrFO
Molecular Weight309.18 g/mol
Exact Mass308.02
IUPAC Name(3-bromo-2-fluorophenyl)-(2,6-dimethylphenyl)methanol
SMILESCc1cccc(C)c1C(O)c1cccc(Br)c1F
InChIInChI=1S/C15H14BrFO/c1-9-5-3-6-10(2)13(9)15(18)11-7-4-8-12(16)14(11)17/h3-8,15,18H,1-2H3
InChIKeyMXSSJUZINRACKC-UHFFFAOYSA-N
XLogP4.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 106648481
(3-bromo-2-fluorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanol
CID 107955673
(3-bromo-2-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanol
CID 106648345
(3-bromo-2,6-difluorophenyl)-(2-bromo-3-methylphenyl)methanol
CID 107985905
(3-bromo-2-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol
CID 106648347
(3-bromo-2-fluorophenyl)-(2-bromo-4-methylphenyl)methanol
CID 106644538
(3-bromo-2-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanol
CID 106644397
(S)-(3-bromo-2-fluorophenyl)-(2-chlorophenyl)methanol
CID 129410443
(3-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methanol
CID 107955792
(3-bromo-2-fluorophenyl)-(3,5-difluorophenyl)methanol
CID 106644628
(2-bromo-3-methylphenyl)-(2,6-difluoro-3-methylphenyl)methanol
CID 107985811
(2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol
CID 115838581

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(2,6-dimethylphenyl)methanol?
The IUPAC name of (3-bromo-2-fluorophenyl)-(2,6-dimethylphenyl)methanol (CID 106644550) is (3-bromo-2-fluorophenyl)-(2,6-dimethylphenyl)methanol.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(2,6-dimethylphenyl)methanol?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(2,6-dimethylphenyl)methanol is Cc1cccc(C)c1C(O)c1cccc(Br)c1F.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(2,6-dimethylphenyl)methanol?
The InChIKey is MXSSJUZINRACKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO/c1-9-5-3-6-10(2)13(9)15(18)11-7-4-8-12(16)14(11)17/h3-8,15,18H,1-2H3.
What are the key properties of (3-bromo-2-fluorophenyl)-(2,6-dimethylphenyl)methanol?
(3-bromo-2-fluorophenyl)-(2,6-dimethylphenyl)methanol has a molecular weight of 309.18 g/mol, XLogP of 4.29, 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)-(2,6-dimethylphenyl)methanol is sourced from PubChem (CID 106644550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).