(2-bromo-4-fluorophenyl)-(2,6-dimethoxyphenyl)methanol

C15H14BrFO3 — CID 115838561

IUPAC(2-bromo-4-fluorophenyl)-(2,6-dimethoxyphenyl)methanol
SMILESCOc1cccc(OC)c1C(O)c1ccc(F)cc1Br
InChIInChI=1S/C15H14BrFO3/c1-19-12-4-3-5-13(20-2)14(12)15(18)10-7-6-9(17)8-11(10)16/h3-8,15,18H,1-2H3
InChIKeyOHALVQVAOPGXKS-UHFFFAOYSA-N
MW341.18 g/mol
LogP3.69
Rot. Bonds4

About (2-bromo-4-fluorophenyl)-(2,6-dimethoxyphenyl)methanol

(2-bromo-4-fluorophenyl)-(2,6-dimethoxyphenyl)methanol (PubChem CID 115838561) has the molecular formula C15H14BrFO3 and a molecular weight of 341.18 g/mol. Its IUPAC name is (2-bromo-4-fluorophenyl)-(2,6-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name(2-bromo-4-fluorophenyl)-(2,6-dimethoxyphenyl)methanol
PubChem CID115838561
Molecular FormulaC15H14BrFO3
Molecular Weight341.18 g/mol
Exact Mass340.01
IUPAC Name(2-bromo-4-fluorophenyl)-(2,6-dimethoxyphenyl)methanol
SMILESCOc1cccc(OC)c1C(O)c1ccc(F)cc1Br
InChIInChI=1S/C15H14BrFO3/c1-19-12-4-3-5-13(20-2)14(12)15(18)10-7-6-9(17)8-11(10)16/h3-8,15,18H,1-2H3
InChIKeyOHALVQVAOPGXKS-UHFFFAOYSA-N
XLogP3.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.18
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-difluorophenyl)-(2,6-dimethoxyphenyl)methanol
CID 61087351
(2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 61101513
1-(2-bromo-4-fluorophenyl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine
CID 105052115
(2-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanol
CID 61082589
(2-bromo-5-methoxyphenyl)-(2,6-dimethoxyphenyl)methanol
CID 105131581
(3-bromo-2-fluorophenyl)-(4-fluoro-2-methoxyphenyl)methanol
CID 86730397
(2-chloro-3-fluorophenyl)-(2,6-dimethoxyphenyl)methanol
CID 115838575
(2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol
CID 115838581
(4,5-dibromofuran-2-yl)-(2,6-dimethoxyphenyl)methanol
CID 116809674
(1R)-1-(2-bromo-4-fluorophenyl)-2-methylpropan-1-ol
CID 130739633
1-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 115793404
(5-bromo-4-fluoro-2-methoxyphenyl)-(2,6-difluorophenyl)methanol
CID 103396120

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-fluorophenyl)-(2,6-dimethoxyphenyl)methanol?
The IUPAC name of (2-bromo-4-fluorophenyl)-(2,6-dimethoxyphenyl)methanol (CID 115838561) is (2-bromo-4-fluorophenyl)-(2,6-dimethoxyphenyl)methanol.
What is the SMILES notation for (2-bromo-4-fluorophenyl)-(2,6-dimethoxyphenyl)methanol?
The canonical SMILES for (2-bromo-4-fluorophenyl)-(2,6-dimethoxyphenyl)methanol is COc1cccc(OC)c1C(O)c1ccc(F)cc1Br.
What is the InChIKey of (2-bromo-4-fluorophenyl)-(2,6-dimethoxyphenyl)methanol?
The InChIKey is OHALVQVAOPGXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO3/c1-19-12-4-3-5-13(20-2)14(12)15(18)10-7-6-9(17)8-11(10)16/h3-8,15,18H,1-2H3.
What are the key properties of (2-bromo-4-fluorophenyl)-(2,6-dimethoxyphenyl)methanol?
(2-bromo-4-fluorophenyl)-(2,6-dimethoxyphenyl)methanol has a molecular weight of 341.18 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-fluorophenyl)-(2,6-dimethoxyphenyl)methanol is sourced from PubChem (CID 115838561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).