[2-[(3-bromo-2,6-difluorophenyl)methoxy]-5-chlorophenyl]methanol

C14H10BrClF2O2 — CID 106264375

IUPAC[2-[(3-bromo-2,6-difluorophenyl)methoxy]-5-chlorophenyl]methanol
SMILESOCc1cc(Cl)ccc1OCc1c(F)ccc(Br)c1F
InChIInChI=1S/C14H10BrClF2O2/c15-11-2-3-12(17)10(14(11)18)7-20-13-4-1-9(16)5-8(13)6-19/h1-5,19H,6-7H2
InChIKeyAVQHXEHGUIZGGC-UHFFFAOYSA-N
MW363.59 g/mol
LogP4.45
Rot. Bonds4

About [2-[(3-bromo-2,6-difluorophenyl)methoxy]-5-chlorophenyl]methanol

[2-[(3-bromo-2,6-difluorophenyl)methoxy]-5-chlorophenyl]methanol (PubChem CID 106264375) has the molecular formula C14H10BrClF2O2 and a molecular weight of 363.59 g/mol. Its IUPAC name is [2-[(3-bromo-2,6-difluorophenyl)methoxy]-5-chlorophenyl]methanol.

Molecular Properties

Compound Name[2-[(3-bromo-2,6-difluorophenyl)methoxy]-5-chlorophenyl]methanol
PubChem CID106264375
Molecular FormulaC14H10BrClF2O2
Molecular Weight363.59 g/mol
Exact Mass361.95
IUPAC Name[2-[(3-bromo-2,6-difluorophenyl)methoxy]-5-chlorophenyl]methanol
SMILESOCc1cc(Cl)ccc1OCc1c(F)ccc(Br)c1F
InChIInChI=1S/C14H10BrClF2O2/c15-11-2-3-12(17)10(14(11)18)7-20-13-4-1-9(16)5-8(13)6-19/h1-5,19H,6-7H2
InChIKeyAVQHXEHGUIZGGC-UHFFFAOYSA-N
XLogP4.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.59
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

[2-[(3-bromo-2,6-difluorophenyl)methoxy]-4-methoxyphenyl]methanol
CID 106264385
1-bromo-2,4-difluoro-3-[(2,4,5-trichlorophenoxy)methyl]benzene
CID 106269847
2-[(3-bromo-2,6-difluorophenyl)methoxy]-4,5-dichloroaniline
CID 106262854
1-bromo-3-[(5-bromo-2,3-difluorophenoxy)methyl]-2,4-difluorobenzene
CID 106264121
[2-[(3-bromo-2,6-difluorophenyl)methoxy]-3-methoxyphenyl]methanol
CID 106264377
1-bromo-3-[(3,4-dichlorophenoxy)methyl]-2,4-difluorobenzene
CID 106269934
2-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanamine
CID 106269112
[3-bromo-4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]methanamine
CID 106262966
[2-[(5-bromothiophen-2-yl)methoxy]-5-chlorophenyl]methanol
CID 43141922
(1S)-1-[4-[(3-bromo-2,6-difluorophenyl)methoxy]-3-fluorophenyl]ethanol
CID 106264434
[2-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]methanol
CID 114845999
5-bromo-2-[(3-bromo-2,6-difluorophenyl)methoxy]benzenecarbothioamide
CID 106264053

Frequently Asked Questions

What is the IUPAC name of [2-[(3-bromo-2,6-difluorophenyl)methoxy]-5-chlorophenyl]methanol?
The IUPAC name of [2-[(3-bromo-2,6-difluorophenyl)methoxy]-5-chlorophenyl]methanol (CID 106264375) is [2-[(3-bromo-2,6-difluorophenyl)methoxy]-5-chlorophenyl]methanol.
What is the SMILES notation for [2-[(3-bromo-2,6-difluorophenyl)methoxy]-5-chlorophenyl]methanol?
The canonical SMILES for [2-[(3-bromo-2,6-difluorophenyl)methoxy]-5-chlorophenyl]methanol is OCc1cc(Cl)ccc1OCc1c(F)ccc(Br)c1F.
What is the InChIKey of [2-[(3-bromo-2,6-difluorophenyl)methoxy]-5-chlorophenyl]methanol?
The InChIKey is AVQHXEHGUIZGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClF2O2/c15-11-2-3-12(17)10(14(11)18)7-20-13-4-1-9(16)5-8(13)6-19/h1-5,19H,6-7H2.
What are the key properties of [2-[(3-bromo-2,6-difluorophenyl)methoxy]-5-chlorophenyl]methanol?
[2-[(3-bromo-2,6-difluorophenyl)methoxy]-5-chlorophenyl]methanol has a molecular weight of 363.59 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-bromo-2,6-difluorophenyl)methoxy]-5-chlorophenyl]methanol is sourced from PubChem (CID 106264375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).