[2-[(3-bromo-4-fluorophenyl)methoxy]-6-chlorophenyl]methanol

C14H11BrClFO2 — CID 114320554

IUPAC[2-[(3-bromo-4-fluorophenyl)methoxy]-6-chlorophenyl]methanol
SMILESOCc1c(Cl)cccc1OCc1ccc(F)c(Br)c1
InChIInChI=1S/C14H11BrClFO2/c15-11-6-9(4-5-13(11)17)8-19-14-3-1-2-12(16)10(14)7-18/h1-6,18H,7-8H2
InChIKeyPYICZXOJUWFBKJ-UHFFFAOYSA-N
MW345.60 g/mol
LogP4.31
Rot. Bonds4

About [2-[(3-bromo-4-fluorophenyl)methoxy]-6-chlorophenyl]methanol

[2-[(3-bromo-4-fluorophenyl)methoxy]-6-chlorophenyl]methanol (PubChem CID 114320554) has the molecular formula C14H11BrClFO2 and a molecular weight of 345.60 g/mol. Its IUPAC name is [2-[(3-bromo-4-fluorophenyl)methoxy]-6-chlorophenyl]methanol.

Molecular Properties

Compound Name[2-[(3-bromo-4-fluorophenyl)methoxy]-6-chlorophenyl]methanol
PubChem CID114320554
Molecular FormulaC14H11BrClFO2
Molecular Weight345.60 g/mol
Exact Mass343.96
IUPAC Name[2-[(3-bromo-4-fluorophenyl)methoxy]-6-chlorophenyl]methanol
SMILESOCc1c(Cl)cccc1OCc1ccc(F)c(Br)c1
InChIInChI=1S/C14H11BrClFO2/c15-11-6-9(4-5-13(11)17)8-19-14-3-1-2-12(16)10(14)7-18/h1-6,18H,7-8H2
InChIKeyPYICZXOJUWFBKJ-UHFFFAOYSA-N
XLogP4.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.60
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(3-bromo-4-fluorophenyl)methoxy]-6-chlorophenyl]ethanamine
CID 114321473
1-[(3-bromo-4-fluorophenyl)methoxy]-2,3-difluorobenzene
CID 63457062
2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzene
CID 55219072
5-[[2-(bromomethyl)-3-chlorophenoxy]methyl]-2-fluorobenzonitrile
CID 107882638
2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-(chloromethyl)benzene
CID 63534718
[3-bromo-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol
CID 114850115
2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-(chloromethyl)benzene
CID 63534231
[2-chloro-6-[(3-nitrophenyl)methoxy]phenyl]methanol
CID 114320381
2-bromo-1-[(3-chlorophenyl)methoxy]-4-fluorobenzene
CID 28548362
1-[(4-bromo-2-fluorophenyl)methoxy]-2-(bromomethyl)-3-chlorobenzene
CID 113276980
2-[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]ethanamine
CID 114321655
2-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzoic acid
CID 107014211

Frequently Asked Questions

What is the IUPAC name of [2-[(3-bromo-4-fluorophenyl)methoxy]-6-chlorophenyl]methanol?
The IUPAC name of [2-[(3-bromo-4-fluorophenyl)methoxy]-6-chlorophenyl]methanol (CID 114320554) is [2-[(3-bromo-4-fluorophenyl)methoxy]-6-chlorophenyl]methanol.
What is the SMILES notation for [2-[(3-bromo-4-fluorophenyl)methoxy]-6-chlorophenyl]methanol?
The canonical SMILES for [2-[(3-bromo-4-fluorophenyl)methoxy]-6-chlorophenyl]methanol is OCc1c(Cl)cccc1OCc1ccc(F)c(Br)c1.
What is the InChIKey of [2-[(3-bromo-4-fluorophenyl)methoxy]-6-chlorophenyl]methanol?
The InChIKey is PYICZXOJUWFBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFO2/c15-11-6-9(4-5-13(11)17)8-19-14-3-1-2-12(16)10(14)7-18/h1-6,18H,7-8H2.
What are the key properties of [2-[(3-bromo-4-fluorophenyl)methoxy]-6-chlorophenyl]methanol?
[2-[(3-bromo-4-fluorophenyl)methoxy]-6-chlorophenyl]methanol has a molecular weight of 345.60 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-bromo-4-fluorophenyl)methoxy]-6-chlorophenyl]methanol is sourced from PubChem (CID 114320554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).