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

C14H11BrF2O2 — CID 82918272

IUPAC[2-bromo-5-[(3,4-difluorophenyl)methoxy]phenyl]methanol
SMILESOCc1cc(OCc2ccc(F)c(F)c2)ccc1Br
InChIInChI=1S/C14H11BrF2O2/c15-12-3-2-11(6-10(12)7-18)19-8-9-1-4-13(16)14(17)5-9/h1-6,18H,7-8H2
InChIKeyRDFVKMWXUJQKLL-UHFFFAOYSA-N
MW329.14 g/mol
LogP3.80
Rot. Bonds4

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

[2-bromo-5-[(3,4-difluorophenyl)methoxy]phenyl]methanol (PubChem CID 82918272) has the molecular formula C14H11BrF2O2 and a molecular weight of 329.14 g/mol. Its IUPAC name is [2-bromo-5-[(3,4-difluorophenyl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[2-bromo-5-[(3,4-difluorophenyl)methoxy]phenyl]methanol
PubChem CID82918272
Molecular FormulaC14H11BrF2O2
Molecular Weight329.14 g/mol
Exact Mass327.99
IUPAC Name[2-bromo-5-[(3,4-difluorophenyl)methoxy]phenyl]methanol
SMILESOCc1cc(OCc2ccc(F)c(F)c2)ccc1Br
InChIInChI=1S/C14H11BrF2O2/c15-12-3-2-11(6-10(12)7-18)19-8-9-1-4-13(16)14(17)5-9/h1-6,18H,7-8H2
InChIKeyRDFVKMWXUJQKLL-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

1-[2-bromo-5-[(3,4-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 82915380
2-bromo-5-[(3,4-difluorophenyl)methoxy]benzaldehyde
CID 82918902
1-bromo-2-(bromomethyl)-4-[(3-chloro-4-fluorophenyl)methoxy]benzene
CID 103038485
[2-[(3,4-difluorophenyl)methoxy]-3-(hydroxymethyl)-5-methoxyphenyl]methanol
CID 75519404
[5-bromo-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol
CID 78993100
3-[[4-bromo-3-(hydroxymethyl)phenoxy]methyl]benzonitrile
CID 66738468
[5-[(3,4-difluorophenyl)methoxy]-2-pyridinyl]methanol
CID 18758409
[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]methanamine
CID 82919254
2-bromo-5-[(3,4-difluorophenyl)methoxy]pyridine
CID 103695236
(1R)-1-[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107719922
4-[(4-bromo-3-fluorophenoxy)methyl]-2-fluorobenzoic acid
CID 106698455
3-[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]prop-2-yn-1-ol
CID 82914917

Frequently Asked Questions

What is the IUPAC name of [2-bromo-5-[(3,4-difluorophenyl)methoxy]phenyl]methanol?
The IUPAC name of [2-bromo-5-[(3,4-difluorophenyl)methoxy]phenyl]methanol (CID 82918272) is [2-bromo-5-[(3,4-difluorophenyl)methoxy]phenyl]methanol.
What is the SMILES notation for [2-bromo-5-[(3,4-difluorophenyl)methoxy]phenyl]methanol?
The canonical SMILES for [2-bromo-5-[(3,4-difluorophenyl)methoxy]phenyl]methanol is OCc1cc(OCc2ccc(F)c(F)c2)ccc1Br.
What is the InChIKey of [2-bromo-5-[(3,4-difluorophenyl)methoxy]phenyl]methanol?
The InChIKey is RDFVKMWXUJQKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2O2/c15-12-3-2-11(6-10(12)7-18)19-8-9-1-4-13(16)14(17)5-9/h1-6,18H,7-8H2.
What are the key properties of [2-bromo-5-[(3,4-difluorophenyl)methoxy]phenyl]methanol?
[2-bromo-5-[(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 [2-bromo-5-[(3,4-difluorophenyl)methoxy]phenyl]methanol is sourced from PubChem (CID 82918272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).