[3-bromo-4-(2-bromo-4-chlorophenoxy)phenyl]methanol

C13H9Br2ClO2 — CID 114062434

IUPAC[3-bromo-4-(2-bromo-4-chlorophenoxy)phenyl]methanol
SMILESOCc1ccc(Oc2ccc(Cl)cc2Br)c(Br)c1
InChIInChI=1S/C13H9Br2ClO2/c14-10-5-8(7-17)1-3-12(10)18-13-4-2-9(16)6-11(13)15/h1-6,17H,7H2
InChIKeyGWNJMTYZSYYJNZ-UHFFFAOYSA-N
MW392.47 g/mol
LogP5.15
Rot. Bonds3

About [3-bromo-4-(2-bromo-4-chlorophenoxy)phenyl]methanol

[3-bromo-4-(2-bromo-4-chlorophenoxy)phenyl]methanol (PubChem CID 114062434) has the molecular formula C13H9Br2ClO2 and a molecular weight of 392.47 g/mol. Its IUPAC name is [3-bromo-4-(2-bromo-4-chlorophenoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-bromo-4-(2-bromo-4-chlorophenoxy)phenyl]methanol
PubChem CID114062434
Molecular FormulaC13H9Br2ClO2
Molecular Weight392.47 g/mol
Exact Mass389.87
IUPAC Name[3-bromo-4-(2-bromo-4-chlorophenoxy)phenyl]methanol
SMILESOCc1ccc(Oc2ccc(Cl)cc2Br)c(Br)c1
InChIInChI=1S/C13H9Br2ClO2/c14-10-5-8(7-17)1-3-12(10)18-13-4-2-9(16)6-11(13)15/h1-6,17H,7H2
InChIKeyGWNJMTYZSYYJNZ-UHFFFAOYSA-N
XLogP5.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.47
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-bromophenoxy)-3-chlorophenyl]methanol
CID 81152045
2-bromo-4-chloro-1-[4-(chloromethyl)phenoxy]benzene
CID 28947286
[3-bromo-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol
CID 114850115
[4-(2,4-dibromophenoxy)-3-fluorophenyl]methanol
CID 64720660
[2-(2-bromo-4-chlorophenoxy)-6-methyl-4-pyridinyl]methanol
CID 113378798
[2-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]methanol
CID 114845999
2-bromo-4-chloro-1-(2-chlorophenoxy)benzene
CID 169336335
N-[[3-(2-bromo-4-chlorophenoxy)-4-methylphenyl]methyl]ethanamine
CID 105406870
[5-(2-bromo-4-chlorophenoxy)-1,3,4-thiadiazol-2-yl]methanol
CID 80618543
N-[[4-(2-bromo-4-chlorophenoxy)phenyl]methyl]ethanamine
CID 43283476
2-[2-(2-bromo-4-chlorophenoxy)-4-chlorophenyl]ethanamine
CID 114863000
2-bromo-4-chloro-1-[2-(chloromethyl)phenoxy]benzene
CID 28947283

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-(2-bromo-4-chlorophenoxy)phenyl]methanol?
The IUPAC name of [3-bromo-4-(2-bromo-4-chlorophenoxy)phenyl]methanol (CID 114062434) is [3-bromo-4-(2-bromo-4-chlorophenoxy)phenyl]methanol.
What is the SMILES notation for [3-bromo-4-(2-bromo-4-chlorophenoxy)phenyl]methanol?
The canonical SMILES for [3-bromo-4-(2-bromo-4-chlorophenoxy)phenyl]methanol is OCc1ccc(Oc2ccc(Cl)cc2Br)c(Br)c1.
What is the InChIKey of [3-bromo-4-(2-bromo-4-chlorophenoxy)phenyl]methanol?
The InChIKey is GWNJMTYZSYYJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2ClO2/c14-10-5-8(7-17)1-3-12(10)18-13-4-2-9(16)6-11(13)15/h1-6,17H,7H2.
What are the key properties of [3-bromo-4-(2-bromo-4-chlorophenoxy)phenyl]methanol?
[3-bromo-4-(2-bromo-4-chlorophenoxy)phenyl]methanol has a molecular weight of 392.47 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-(2-bromo-4-chlorophenoxy)phenyl]methanol is sourced from PubChem (CID 114062434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).