[5-bromo-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol

C14H11BrF2O2 — CID 78993100

IUPAC[5-bromo-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol
SMILESOCc1cc(Br)ccc1OCc1ccc(F)c(F)c1
InChIInChI=1S/C14H11BrF2O2/c15-11-2-4-14(10(6-11)7-18)19-8-9-1-3-12(16)13(17)5-9/h1-6,18H,7-8H2
InChIKeyBNBPWNPFUIQZOZ-UHFFFAOYSA-N
MW329.14 g/mol
LogP3.80
Rot. Bonds4

About [5-bromo-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol

[5-bromo-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol (PubChem CID 78993100) has the molecular formula C14H11BrF2O2 and a molecular weight of 329.14 g/mol. Its IUPAC name is [5-bromo-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol
PubChem CID78993100
Molecular FormulaC14H11BrF2O2
Molecular Weight329.14 g/mol
Exact Mass327.99
IUPAC Name[5-bromo-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol
SMILESOCc1cc(Br)ccc1OCc1ccc(F)c(F)c1
InChIInChI=1S/C14H11BrF2O2/c15-11-2-4-14(10(6-11)7-18)19-8-9-1-3-12(16)13(17)5-9/h1-6,18H,7-8H2
InChIKeyBNBPWNPFUIQZOZ-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

[4-[[4-bromo-2-(hydroxymethyl)phenoxy]methyl]phenyl]methanol
CID 112630832
[5-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methanol
CID 79705698
5-bromo-2-[(3,4-difluorophenyl)methoxy]aniline
CID 82918529
[5-bromo-2-[(4-iodophenyl)methoxy]phenyl]methanol
CID 65479250
[5-bromo-2-(naphthalen-2-ylmethoxy)phenyl]methanol
CID 45371588
2-bromo-4-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1-fluorobenzene
CID 63534999
4-bromo-1-chloro-2-[(3,4-difluorophenyl)methoxy]benzene
CID 82918187
4-[[4-bromo-2-(hydroxymethyl)phenoxy]methyl]benzonitrile
CID 2440173
[5-bromo-2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methanol
CID 89437129
[2-bromo-5-[(3,4-difluorophenyl)methoxy]phenyl]methanol
CID 82918272
[5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 103037777
2-[5-bromo-2-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 60905993

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol?
The IUPAC name of [5-bromo-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol (CID 78993100) is [5-bromo-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol.
What is the SMILES notation for [5-bromo-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol?
The canonical SMILES for [5-bromo-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol is OCc1cc(Br)ccc1OCc1ccc(F)c(F)c1.
What is the InChIKey of [5-bromo-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol?
The InChIKey is BNBPWNPFUIQZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2O2/c15-11-2-4-14(10(6-11)7-18)19-8-9-1-3-12(16)13(17)5-9/h1-6,18H,7-8H2.
What are the key properties of [5-bromo-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol?
[5-bromo-2-[(3,4-difluorophenyl)methoxy]phenyl]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 [5-bromo-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol is sourced from PubChem (CID 78993100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).