[3-[[2-bromo-3-(3-fluorophenyl)phenyl]methoxy]phenyl]methanol

C20H16BrFO2 — CID 162657005

IUPAC[3-[[2-bromo-3-(3-fluorophenyl)phenyl]methoxy]phenyl]methanol
SMILESOCc1cccc(OCc2cccc(-c3cccc(F)c3)c2Br)c1
InChIInChI=1S/C20H16BrFO2/c21-20-16(13-24-18-8-1-4-14(10-18)12-23)6-3-9-19(20)15-5-2-7-17(22)11-15/h1-11,23H,12-13H2
InChIKeyHBWGRHUCJRBGAX-UHFFFAOYSA-N
MW387.25 g/mol
LogP5.33
Rot. Bonds5

About [3-[[2-bromo-3-(3-fluorophenyl)phenyl]methoxy]phenyl]methanol

[3-[[2-bromo-3-(3-fluorophenyl)phenyl]methoxy]phenyl]methanol (PubChem CID 162657005) has the molecular formula C20H16BrFO2 and a molecular weight of 387.25 g/mol. Its IUPAC name is [3-[[2-bromo-3-(3-fluorophenyl)phenyl]methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-[[2-bromo-3-(3-fluorophenyl)phenyl]methoxy]phenyl]methanol
PubChem CID162657005
Molecular FormulaC20H16BrFO2
Molecular Weight387.25 g/mol
Exact Mass386.03
IUPAC Name[3-[[2-bromo-3-(3-fluorophenyl)phenyl]methoxy]phenyl]methanol
SMILESOCc1cccc(OCc2cccc(-c3cccc(F)c3)c2Br)c1
InChIInChI=1S/C20H16BrFO2/c21-20-16(13-24-18-8-1-4-14(10-18)12-23)6-3-9-19(20)15-5-2-7-17(22)11-15/h1-11,23H,12-13H2
InChIKeyHBWGRHUCJRBGAX-UHFFFAOYSA-N
XLogP5.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.25
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[[2-bromo-3-(3-fluorophenyl)phenyl]methoxy]phenyl]methanol?
The IUPAC name of [3-[[2-bromo-3-(3-fluorophenyl)phenyl]methoxy]phenyl]methanol (CID 162657005) is [3-[[2-bromo-3-(3-fluorophenyl)phenyl]methoxy]phenyl]methanol.
What is the SMILES notation for [3-[[2-bromo-3-(3-fluorophenyl)phenyl]methoxy]phenyl]methanol?
The canonical SMILES for [3-[[2-bromo-3-(3-fluorophenyl)phenyl]methoxy]phenyl]methanol is OCc1cccc(OCc2cccc(-c3cccc(F)c3)c2Br)c1.
What is the InChIKey of [3-[[2-bromo-3-(3-fluorophenyl)phenyl]methoxy]phenyl]methanol?
The InChIKey is HBWGRHUCJRBGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrFO2/c21-20-16(13-24-18-8-1-4-14(10-18)12-23)6-3-9-19(20)15-5-2-7-17(22)11-15/h1-11,23H,12-13H2.
What are the key properties of [3-[[2-bromo-3-(3-fluorophenyl)phenyl]methoxy]phenyl]methanol?
[3-[[2-bromo-3-(3-fluorophenyl)phenyl]methoxy]phenyl]methanol has a molecular weight of 387.25 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-bromo-3-(3-fluorophenyl)phenyl]methoxy]phenyl]methanol is sourced from PubChem (CID 162657005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).