[2-[(4-bromo-2-fluorophenyl)methoxy]-3-fluorophenyl]methanol

C14H11BrF2O2 — CID 112613188

IUPAC[2-[(4-bromo-2-fluorophenyl)methoxy]-3-fluorophenyl]methanol
SMILESOCc1cccc(F)c1OCc1ccc(Br)cc1F
InChIInChI=1S/C14H11BrF2O2/c15-11-5-4-10(13(17)6-11)8-19-14-9(7-18)2-1-3-12(14)16/h1-6,18H,7-8H2
InChIKeyKTJVWUODGCIEHU-UHFFFAOYSA-N
MW329.14 g/mol
LogP3.80
Rot. Bonds4

About [2-[(4-bromo-2-fluorophenyl)methoxy]-3-fluorophenyl]methanol

[2-[(4-bromo-2-fluorophenyl)methoxy]-3-fluorophenyl]methanol (PubChem CID 112613188) has the molecular formula C14H11BrF2O2 and a molecular weight of 329.14 g/mol. Its IUPAC name is [2-[(4-bromo-2-fluorophenyl)methoxy]-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-[(4-bromo-2-fluorophenyl)methoxy]-3-fluorophenyl]methanol
PubChem CID112613188
Molecular FormulaC14H11BrF2O2
Molecular Weight329.14 g/mol
Exact Mass327.99
IUPAC Name[2-[(4-bromo-2-fluorophenyl)methoxy]-3-fluorophenyl]methanol
SMILESOCc1cccc(F)c1OCc1ccc(Br)cc1F
InChIInChI=1S/C14H11BrF2O2/c15-11-5-4-10(13(17)6-11)8-19-14-9(7-18)2-1-3-12(14)16/h1-6,18H,7-8H2
InChIKeyKTJVWUODGCIEHU-UHFFFAOYSA-N
XLogP3.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(4-bromo-2-fluorophenyl)methoxy]-3,5-dichlorophenyl]methanol
CID 43516255
[2-[(2-chloro-4-methylphenyl)methoxy]-3-fluorophenyl]methanol
CID 106864412
[2-[(2-bromo-4-nitrophenyl)methoxy]-3-fluorophenyl]methanol
CID 115956391
[2-[(2-chlorophenyl)methoxy]-3-fluorophenyl]methanol
CID 112613091
[2-[(2,5-dichlorophenyl)methoxy]-3-fluorophenyl]methanol
CID 112612937
[2-[(4-bromo-2-fluorophenyl)methoxy]-3-methylphenyl]methanamine
CID 112607529
[2-[(4-bromo-2-fluorophenyl)methoxy]-3-chlorophenyl]methanamine
CID 112607867
4-[[2-fluoro-6-(hydroxymethyl)phenoxy]methyl]phenol
CID 112613126
1,3-dibromo-2-[(4-bromo-2-fluorophenyl)methoxy]-5-(bromomethyl)benzene
CID 107745679
[5-bromo-2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methanol
CID 89437129
1-[2-[(5-bromo-2-fluorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 115952475
2-[(4-bromo-2-fluorophenyl)methoxy]-1,3,4-trimethylbenzene
CID 60627093

Frequently Asked Questions

What is the IUPAC name of [2-[(4-bromo-2-fluorophenyl)methoxy]-3-fluorophenyl]methanol?
The IUPAC name of [2-[(4-bromo-2-fluorophenyl)methoxy]-3-fluorophenyl]methanol (CID 112613188) is [2-[(4-bromo-2-fluorophenyl)methoxy]-3-fluorophenyl]methanol.
What is the SMILES notation for [2-[(4-bromo-2-fluorophenyl)methoxy]-3-fluorophenyl]methanol?
The canonical SMILES for [2-[(4-bromo-2-fluorophenyl)methoxy]-3-fluorophenyl]methanol is OCc1cccc(F)c1OCc1ccc(Br)cc1F.
What is the InChIKey of [2-[(4-bromo-2-fluorophenyl)methoxy]-3-fluorophenyl]methanol?
The InChIKey is KTJVWUODGCIEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2O2/c15-11-5-4-10(13(17)6-11)8-19-14-9(7-18)2-1-3-12(14)16/h1-6,18H,7-8H2.
What are the key properties of [2-[(4-bromo-2-fluorophenyl)methoxy]-3-fluorophenyl]methanol?
[2-[(4-bromo-2-fluorophenyl)methoxy]-3-fluorophenyl]methanol has a molecular weight of 329.14 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-bromo-2-fluorophenyl)methoxy]-3-fluorophenyl]methanol is sourced from PubChem (CID 112613188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).