2-[4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanol

C15H13BrF2O2 — CID 106264542

IUPAC2-[4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanol
SMILESOCCc1ccc(OCc2c(F)ccc(Br)c2F)cc1
InChIInChI=1S/C15H13BrF2O2/c16-13-5-6-14(17)12(15(13)18)9-20-11-3-1-10(2-4-11)7-8-19/h1-6,19H,7-9H2
InChIKeyAHUKSAWZJIVJML-UHFFFAOYSA-N
MW343.17 g/mol
LogP3.84
Rot. Bonds5

About 2-[4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanol

2-[4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanol (PubChem CID 106264542) has the molecular formula C15H13BrF2O2 and a molecular weight of 343.17 g/mol. Its IUPAC name is 2-[4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanol
PubChem CID106264542
Molecular FormulaC15H13BrF2O2
Molecular Weight343.17 g/mol
Exact Mass342.01
IUPAC Name2-[4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanol
SMILESOCCc1ccc(OCc2c(F)ccc(Br)c2F)cc1
InChIInChI=1S/C15H13BrF2O2/c16-13-5-6-14(17)12(15(13)18)9-20-11-3-1-10(2-4-11)7-8-19/h1-6,19H,7-9H2
InChIKeyAHUKSAWZJIVJML-UHFFFAOYSA-N
XLogP3.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.17
LogP ≤ 53.84
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

1-bromo-2,4-difluoro-3-[(4-propylphenoxy)methyl]benzene
CID 106269980
2-[4-[(2-amino-6-bromophenyl)methoxy]phenyl]ethanol
CID 107708545
1-bromo-3-[(3,4-dichlorophenoxy)methyl]-2,4-difluorobenzene
CID 106269934
1-bromo-2,4-difluoro-3-[(4-nitrophenoxy)methyl]benzene
CID 106269937
1-bromo-3-[[3-(bromomethyl)phenoxy]methyl]-2,4-difluorobenzene
CID 114165801
O-[(3-bromo-2,6-difluorophenyl)methyl]hydroxylamine
CID 106264573
[3-bromo-4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]methanamine
CID 106262966
(1S)-1-[4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]propan-1-amine
CID 106262986
[2-[(3-bromo-2,6-difluorophenyl)methoxy]-4-methoxyphenyl]methanol
CID 106264385
[2-[(3-bromo-2,6-difluorophenyl)methoxy]-5-chlorophenyl]methanol
CID 106264375
1-bromo-2,4-difluoro-3-[(3-iodophenoxy)methyl]benzene
CID 106264107
4-[(3-bromo-2,6-difluorophenyl)methoxy]-2-chlorobenzenecarbothioamide
CID 106264054

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanol?
The IUPAC name of 2-[4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanol (CID 106264542) is 2-[4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for 2-[4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanol?
The canonical SMILES for 2-[4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanol is OCCc1ccc(OCc2c(F)ccc(Br)c2F)cc1.
What is the InChIKey of 2-[4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanol?
The InChIKey is AHUKSAWZJIVJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2O2/c16-13-5-6-14(17)12(15(13)18)9-20-11-3-1-10(2-4-11)7-8-19/h1-6,19H,7-9H2.
What are the key properties of 2-[4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanol?
2-[4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanol has a molecular weight of 343.17 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 106264542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).