[2-[(3-bromo-2,6-difluorophenyl)methoxy]-4-methoxyphenyl]methanol

C15H13BrF2O3 — CID 106264385

IUPAC[2-[(3-bromo-2,6-difluorophenyl)methoxy]-4-methoxyphenyl]methanol
SMILESCOc1ccc(CO)c(OCc2c(F)ccc(Br)c2F)c1
InChIInChI=1S/C15H13BrF2O3/c1-20-10-3-2-9(7-19)14(6-10)21-8-11-13(17)5-4-12(16)15(11)18/h2-6,19H,7-8H2,1H3
InChIKeyJNCUKXFLQKYNII-UHFFFAOYSA-N
MW359.17 g/mol
LogP3.81
Rot. Bonds5

About [2-[(3-bromo-2,6-difluorophenyl)methoxy]-4-methoxyphenyl]methanol

[2-[(3-bromo-2,6-difluorophenyl)methoxy]-4-methoxyphenyl]methanol (PubChem CID 106264385) has the molecular formula C15H13BrF2O3 and a molecular weight of 359.17 g/mol. Its IUPAC name is [2-[(3-bromo-2,6-difluorophenyl)methoxy]-4-methoxyphenyl]methanol.

Molecular Properties

Compound Name[2-[(3-bromo-2,6-difluorophenyl)methoxy]-4-methoxyphenyl]methanol
PubChem CID106264385
Molecular FormulaC15H13BrF2O3
Molecular Weight359.17 g/mol
Exact Mass358.00
IUPAC Name[2-[(3-bromo-2,6-difluorophenyl)methoxy]-4-methoxyphenyl]methanol
SMILESCOc1ccc(CO)c(OCc2c(F)ccc(Br)c2F)c1
InChIInChI=1S/C15H13BrF2O3/c1-20-10-3-2-9(7-19)14(6-10)21-8-11-13(17)5-4-12(16)15(11)18/h2-6,19H,7-8H2,1H3
InChIKeyJNCUKXFLQKYNII-UHFFFAOYSA-N
XLogP3.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.17
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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]-5-chlorophenyl]methanol
CID 106264375
[2-[(3-bromo-2,6-difluorophenyl)methoxy]-3-methoxyphenyl]methanol
CID 106264377
[2-[(5-chloro-2-methoxyphenyl)methoxy]-4-methoxyphenyl]methanol
CID 61268126
(2-ethoxy-4-methoxyphenyl)methanol
CID 61267380
1-bromo-3-[[5-(bromomethyl)-2-methoxyphenoxy]methyl]-2,4-difluorobenzene
CID 106264490
2-fluoro-3-[[2-(hydroxymethyl)-5-methoxyphenoxy]methyl]benzonitrile
CID 107118572
1-bromo-3-[(5-bromo-2,3-difluorophenoxy)methyl]-2,4-difluorobenzene
CID 106264121
[2-(2,2-difluoroethoxy)-4-methoxyphenyl]methanol
CID 61269046
2-[4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanol
CID 106264542
1-bromo-2,4-difluoro-3-[(2,4,5-trichlorophenoxy)methyl]benzene
CID 106269847
5-[(3-bromo-2,6-difluorophenyl)methoxy]-2,4-dimethylaniline
CID 106262856
(1S)-1-[4-[(3-bromo-2,6-difluorophenyl)methoxy]-3-fluorophenyl]ethanol
CID 106264434

Frequently Asked Questions

What is the IUPAC name of [2-[(3-bromo-2,6-difluorophenyl)methoxy]-4-methoxyphenyl]methanol?
The IUPAC name of [2-[(3-bromo-2,6-difluorophenyl)methoxy]-4-methoxyphenyl]methanol (CID 106264385) is [2-[(3-bromo-2,6-difluorophenyl)methoxy]-4-methoxyphenyl]methanol.
What is the SMILES notation for [2-[(3-bromo-2,6-difluorophenyl)methoxy]-4-methoxyphenyl]methanol?
The canonical SMILES for [2-[(3-bromo-2,6-difluorophenyl)methoxy]-4-methoxyphenyl]methanol is COc1ccc(CO)c(OCc2c(F)ccc(Br)c2F)c1.
What is the InChIKey of [2-[(3-bromo-2,6-difluorophenyl)methoxy]-4-methoxyphenyl]methanol?
The InChIKey is JNCUKXFLQKYNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2O3/c1-20-10-3-2-9(7-19)14(6-10)21-8-11-13(17)5-4-12(16)15(11)18/h2-6,19H,7-8H2,1H3.
What are the key properties of [2-[(3-bromo-2,6-difluorophenyl)methoxy]-4-methoxyphenyl]methanol?
[2-[(3-bromo-2,6-difluorophenyl)methoxy]-4-methoxyphenyl]methanol has a molecular weight of 359.17 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-bromo-2,6-difluorophenyl)methoxy]-4-methoxyphenyl]methanol is sourced from PubChem (CID 106264385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).