[3-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methanol

C14H11Br2FO2 — CID 79706812

IUPAC[3-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methanol
SMILESOCc1cccc(Br)c1OCc1cc(F)cc(Br)c1
InChIInChI=1S/C14H11Br2FO2/c15-11-4-9(5-12(17)6-11)8-19-14-10(7-18)2-1-3-13(14)16/h1-6,18H,7-8H2
InChIKeyZKCIOGQTQCGFST-UHFFFAOYSA-N
MW390.05 g/mol
LogP4.42
Rot. Bonds4

About [3-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methanol

[3-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methanol (PubChem CID 79706812) has the molecular formula C14H11Br2FO2 and a molecular weight of 390.05 g/mol. Its IUPAC name is [3-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methanol
PubChem CID79706812
Molecular FormulaC14H11Br2FO2
Molecular Weight390.05 g/mol
Exact Mass387.91
IUPAC Name[3-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methanol
SMILESOCc1cccc(Br)c1OCc1cc(F)cc(Br)c1
InChIInChI=1S/C14H11Br2FO2/c15-11-4-9(5-12(17)6-11)8-19-14-10(7-18)2-1-3-13(14)16/h1-6,18H,7-8H2
InChIKeyZKCIOGQTQCGFST-UHFFFAOYSA-N
XLogP4.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.05
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 79703239
[5-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methanol
CID 79705698
1-bromo-3-(bromomethyl)-2-[(3-fluorophenyl)methoxy]benzene
CID 63536395
[3-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]methanol
CID 61391527
[3-bromo-2-[(4-tert-butylphenyl)methoxy]phenyl]methanol
CID 63533381
[2-[(3-bromo-5-fluorophenyl)methoxy]-5-methylphenyl]methanol
CID 79706071
2-[2-[(3-bromo-5-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 115957707
[4-[(3-bromo-5-fluorophenyl)methoxy]-3-chloro-5-methoxyphenyl]methanol
CID 79698183
1-bromo-3-fluoro-5-[(4-fluorophenoxy)methyl]benzene
CID 79702949
1-bromo-3-[(3-chlorophenoxy)methyl]-5-fluorobenzene
CID 79701274
[3,5-dibromo-2-[(3-methylphenyl)methoxy]phenyl]methanol
CID 132591526
[3-bromo-2-(2-phenylethoxy)phenyl]methanol
CID 61391567

Frequently Asked Questions

What is the IUPAC name of [3-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methanol?
The IUPAC name of [3-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methanol (CID 79706812) is [3-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methanol.
What is the SMILES notation for [3-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methanol?
The canonical SMILES for [3-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methanol is OCc1cccc(Br)c1OCc1cc(F)cc(Br)c1.
What is the InChIKey of [3-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methanol?
The InChIKey is ZKCIOGQTQCGFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2FO2/c15-11-4-9(5-12(17)6-11)8-19-14-10(7-18)2-1-3-13(14)16/h1-6,18H,7-8H2.
What are the key properties of [3-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methanol?
[3-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methanol has a molecular weight of 390.05 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methanol is sourced from PubChem (CID 79706812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).