1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanol

C15H13Br2FO2 — CID 63533682

IUPAC1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanol
SMILESCC(O)c1cc(Br)ccc1OCc1cc(Br)ccc1F
InChIInChI=1S/C15H13Br2FO2/c1-9(19)13-7-12(17)3-5-15(13)20-8-10-6-11(16)2-4-14(10)18/h2-7,9,19H,8H2,1H3
InChIKeyCFRZKJXPVUBSRY-UHFFFAOYSA-N
MW404.07 g/mol
LogP4.98
Rot. Bonds4

About 1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanol

1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanol (PubChem CID 63533682) has the molecular formula C15H13Br2FO2 and a molecular weight of 404.07 g/mol. Its IUPAC name is 1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanol
PubChem CID63533682
Molecular FormulaC15H13Br2FO2
Molecular Weight404.07 g/mol
Exact Mass401.93
IUPAC Name1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanol
SMILESCC(O)c1cc(Br)ccc1OCc1cc(Br)ccc1F
InChIInChI=1S/C15H13Br2FO2/c1-9(19)13-7-12(17)3-5-15(13)20-8-10-6-11(16)2-4-14(10)18/h2-7,9,19H,8H2,1H3
InChIKeyCFRZKJXPVUBSRY-UHFFFAOYSA-N
XLogP4.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.07
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(4-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanol
CID 62074774
(1R)-1-[2-[(4-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanol
CID 63364498
1-[5-bromo-2-[(3-bromo-4-fluorophenyl)methoxy]phenyl]ethanol
CID 63533533
(1S)-1-[4-[(5-bromo-2-fluorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107720483
1-[5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanol
CID 102616484
(1S)-1-[5-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol
CID 104862353
(1S)-1-[5-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanol
CID 55189545
1-[5-bromo-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine
CID 62369042
1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 63421430
(1S)-1-[5-bromo-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 78944614
1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]ethanol
CID 102948307
(1R)-1-(5-bromo-2-phenylmethoxyphenyl)ethanol
CID 78932268

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanol?
The IUPAC name of 1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanol (CID 63533682) is 1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for 1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanol?
The canonical SMILES for 1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanol is CC(O)c1cc(Br)ccc1OCc1cc(Br)ccc1F.
What is the InChIKey of 1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanol?
The InChIKey is CFRZKJXPVUBSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2FO2/c1-9(19)13-7-12(17)3-5-15(13)20-8-10-6-11(16)2-4-14(10)18/h2-7,9,19H,8H2,1H3.
What are the key properties of 1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanol?
1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanol has a molecular weight of 404.07 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 63533682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).