(4-bromo-2-fluorophenyl)methanol;methyl 4-bromo-2-fluorobenzoate

C15H12Br2F2O3 — CID 161186982

IUPAC(4-bromo-2-fluorophenyl)methanol;methyl 4-bromo-2-fluorobenzoate
SMILESCOC(=O)c1ccc(Br)cc1F.OCc1ccc(Br)cc1F
InChIInChI=1S/C8H6BrFO2.C7H6BrFO/c1-12-8(11)6-3-2-5(9)4-7(6)10;8-6-2-1-5(4-10)7(9)3-6/h2-4H,1H3;1-3,10H,4H2
InChIKeyUTFDFVZBWFJPNY-UHFFFAOYSA-N
MW438.06 g/mol
LogP4.46
Rot. Bonds2

About (4-bromo-2-fluorophenyl)methanol;methyl 4-bromo-2-fluorobenzoate

(4-bromo-2-fluorophenyl)methanol;methyl 4-bromo-2-fluorobenzoate (PubChem CID 161186982) has the molecular formula C15H12Br2F2O3 and a molecular weight of 438.06 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)methanol;methyl 4-bromo-2-fluorobenzoate.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)methanol;methyl 4-bromo-2-fluorobenzoate
PubChem CID161186982
Molecular FormulaC15H12Br2F2O3
Molecular Weight438.06 g/mol
Exact Mass435.91
IUPAC Name(4-bromo-2-fluorophenyl)methanol;methyl 4-bromo-2-fluorobenzoate
SMILESCOC(=O)c1ccc(Br)cc1F.OCc1ccc(Br)cc1F
InChIInChI=1S/C8H6BrFO2.C7H6BrFO/c1-12-8(11)6-3-2-5(9)4-7(6)10;8-6-2-1-5(4-10)7(9)3-6/h2-4H,1H3;1-3,10H,4H2
InChIKeyUTFDFVZBWFJPNY-UHFFFAOYSA-N
XLogP4.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.06
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-bromo-4-fluoro-5-(hydroxymethyl)benzoate
CID 118186621
magnesium;ethane;methane;methyl 4-bromo-2-fluorobenzoate;methyl 4-ethyl-2-fluorobenzoate;bromide
CID 159482237
1,2-bis(4-bromo-2-fluorophenyl)ethanone
CID 114905955
methyl 5-bromo-4-fluoro-2-(hydroxymethyl)benzoate
CID 163395449
methyl 5-fluoro-2-(hydroxymethyl)benzoate
CID 99769873
methyl 2-[(4-bromo-2-fluorophenyl)methyl]-1,5-dimethyl-6-oxopyridine-3-carboxylate
CID 58360839
methyl 2-(2-aminoethyl)-5-bromobenzoate
CID 44828922
methyl 5-[(4-bromo-2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-6-carboxylate
CID 58324521
4-bromo-2-methylbenzoic acid;methanol;methyl 4-bromo-2-fluorobenzoate;thionyl dichloride
CID 160860123
methyl 2-(aminomethyl)-5-bromobenzoate
CID 44828923
4-bromo-2-fluoro-N-(methoxymethyl)benzamide
CID 71433414
4-bromo-N-(2,2-dimethoxyethyl)-2-fluorobenzamide
CID 61247809

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)methanol;methyl 4-bromo-2-fluorobenzoate?
The IUPAC name of (4-bromo-2-fluorophenyl)methanol;methyl 4-bromo-2-fluorobenzoate (CID 161186982) is (4-bromo-2-fluorophenyl)methanol;methyl 4-bromo-2-fluorobenzoate.
What is the SMILES notation for (4-bromo-2-fluorophenyl)methanol;methyl 4-bromo-2-fluorobenzoate?
The canonical SMILES for (4-bromo-2-fluorophenyl)methanol;methyl 4-bromo-2-fluorobenzoate is COC(=O)c1ccc(Br)cc1F.OCc1ccc(Br)cc1F.
What is the InChIKey of (4-bromo-2-fluorophenyl)methanol;methyl 4-bromo-2-fluorobenzoate?
The InChIKey is UTFDFVZBWFJPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFO2.C7H6BrFO/c1-12-8(11)6-3-2-5(9)4-7(6)10;8-6-2-1-5(4-10)7(9)3-6/h2-4H,1H3;1-3,10H,4H2.
What are the key properties of (4-bromo-2-fluorophenyl)methanol;methyl 4-bromo-2-fluorobenzoate?
(4-bromo-2-fluorophenyl)methanol;methyl 4-bromo-2-fluorobenzoate has a molecular weight of 438.06 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)methanol;methyl 4-bromo-2-fluorobenzoate is sourced from PubChem (CID 161186982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).