(5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanol

C14H11BrF2O2 — CID 103396069

IUPAC(5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanol
SMILESCOc1cc(F)c(Br)cc1C(O)c1ccc(F)cc1
InChIInChI=1S/C14H11BrF2O2/c1-19-13-7-12(17)11(15)6-10(13)14(18)8-2-4-9(16)5-3-8/h2-7,14,18H,1H3
InChIKeyZFIXOCVLTUJDKQ-UHFFFAOYSA-N
MW329.14 g/mol
LogP3.82
Rot. Bonds3

About (5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanol

(5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanol (PubChem CID 103396069) has the molecular formula C14H11BrF2O2 and a molecular weight of 329.14 g/mol. Its IUPAC name is (5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name(5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanol
PubChem CID103396069
Molecular FormulaC14H11BrF2O2
Molecular Weight329.14 g/mol
Exact Mass327.99
IUPAC Name(5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanol
SMILESCOc1cc(F)c(Br)cc1C(O)c1ccc(F)cc1
InChIInChI=1S/C14H11BrF2O2/c1-19-13-7-12(17)11(15)6-10(13)14(18)8-2-4-9(16)5-3-8/h2-7,14,18H,1H3
InChIKeyZFIXOCVLTUJDKQ-UHFFFAOYSA-N
XLogP3.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanamine
CID 103394484
(5-bromo-4-fluoro-2-methoxyphenyl)-(3-chloro-4-methylphenyl)methanol
CID 103395986
(5-bromo-4-fluoro-2-methoxyphenyl)-(2,6-difluorophenyl)methanol
CID 103396120
(5-bromo-4-fluoro-2-methoxyphenyl)-(5-bromo-2-fluorophenyl)methanol
CID 103395971
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-ethoxyphenyl)methanol
CID 103396097
(5-bromo-4-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanol
CID 103396042
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-3-methylphenyl)methanol
CID 107983417
1-bromo-5-[(2-bromo-5-fluorophenyl)-chloromethyl]-2-fluoro-4-methoxybenzene
CID 103396203
(2-bromo-5-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
CID 62867633
(2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 61101513
(3-bromo-4-chlorophenyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 82768889
(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-fluorophenyl)methanol
CID 105057040

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanol?
The IUPAC name of (5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanol (CID 103396069) is (5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanol.
What is the SMILES notation for (5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanol?
The canonical SMILES for (5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanol is COc1cc(F)c(Br)cc1C(O)c1ccc(F)cc1.
What is the InChIKey of (5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanol?
The InChIKey is ZFIXOCVLTUJDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2O2/c1-19-13-7-12(17)11(15)6-10(13)14(18)8-2-4-9(16)5-3-8/h2-7,14,18H,1H3.
What are the key properties of (5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanol?
(5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanol has a molecular weight of 329.14 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanol is sourced from PubChem (CID 103396069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).