4-[[2,6-dibromo-4-(chloromethyl)phenoxy]methyl]phenol

C14H11Br2ClO2 — CID 107745437

IUPAC4-[[2,6-dibromo-4-(chloromethyl)phenoxy]methyl]phenol
SMILESOc1ccc(COc2c(Br)cc(CCl)cc2Br)cc1
InChIInChI=1S/C14H11Br2ClO2/c15-12-5-10(7-17)6-13(16)14(12)19-8-9-1-3-11(18)4-2-9/h1-6,18H,7-8H2
InChIKeyAAQYFBMKMGUFFM-UHFFFAOYSA-N
MW406.50 g/mol
LogP5.24
Rot. Bonds4

About 4-[[2,6-dibromo-4-(chloromethyl)phenoxy]methyl]phenol

4-[[2,6-dibromo-4-(chloromethyl)phenoxy]methyl]phenol (PubChem CID 107745437) has the molecular formula C14H11Br2ClO2 and a molecular weight of 406.50 g/mol. Its IUPAC name is 4-[[2,6-dibromo-4-(chloromethyl)phenoxy]methyl]phenol.

Molecular Properties

Compound Name4-[[2,6-dibromo-4-(chloromethyl)phenoxy]methyl]phenol
PubChem CID107745437
Molecular FormulaC14H11Br2ClO2
Molecular Weight406.50 g/mol
Exact Mass403.88
IUPAC Name4-[[2,6-dibromo-4-(chloromethyl)phenoxy]methyl]phenol
SMILESOc1ccc(COc2c(Br)cc(CCl)cc2Br)cc1
InChIInChI=1S/C14H11Br2ClO2/c15-12-5-10(7-17)6-13(16)14(12)19-8-9-1-3-11(18)4-2-9/h1-6,18H,7-8H2
InChIKeyAAQYFBMKMGUFFM-UHFFFAOYSA-N
XLogP5.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.50
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1,3-dibromo-5-(chloromethyl)-2-[(4-fluorophenyl)methoxy]benzene
CID 107745218
4-[[4-(aminomethyl)-2,6-dibromophenoxy]methyl]phenol
CID 107741447
4-[[2,6-dibromo-4-(chloromethyl)phenoxy]methyl]benzonitrile
CID 107745376
1-bromo-5-(chloromethyl)-3-methoxy-2-[(4-methylphenyl)methoxy]benzene
CID 43622701
1-bromo-5-(chloromethyl)-3-methoxy-2-[(4-methoxyphenyl)methoxy]benzene
CID 43622745
1,3-dibromo-5-(bromomethyl)-2-[(4-bromophenyl)methoxy]benzene
CID 107745706
4-[[2,6-dibromo-4-(hydroxymethyl)phenoxy]methyl]benzonitrile
CID 107738904
1,3-dibromo-2-[(5-chloro-2-fluorophenyl)methoxy]-5-(chloromethyl)benzene
CID 107745268
1,3-dibromo-2-[(5-bromo-2-fluorophenyl)methoxy]-5-(chloromethyl)benzene
CID 107745416
2-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]ethanamine
CID 107739438
[3,5-dibromo-4-[(4-ethylphenyl)methoxy]phenyl]methanamine
CID 107741554
4-[(2-amino-6-bromophenoxy)methyl]phenol
CID 81499279

Frequently Asked Questions

What is the IUPAC name of 4-[[2,6-dibromo-4-(chloromethyl)phenoxy]methyl]phenol?
The IUPAC name of 4-[[2,6-dibromo-4-(chloromethyl)phenoxy]methyl]phenol (CID 107745437) is 4-[[2,6-dibromo-4-(chloromethyl)phenoxy]methyl]phenol.
What is the SMILES notation for 4-[[2,6-dibromo-4-(chloromethyl)phenoxy]methyl]phenol?
The canonical SMILES for 4-[[2,6-dibromo-4-(chloromethyl)phenoxy]methyl]phenol is Oc1ccc(COc2c(Br)cc(CCl)cc2Br)cc1.
What is the InChIKey of 4-[[2,6-dibromo-4-(chloromethyl)phenoxy]methyl]phenol?
The InChIKey is AAQYFBMKMGUFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2ClO2/c15-12-5-10(7-17)6-13(16)14(12)19-8-9-1-3-11(18)4-2-9/h1-6,18H,7-8H2.
What are the key properties of 4-[[2,6-dibromo-4-(chloromethyl)phenoxy]methyl]phenol?
4-[[2,6-dibromo-4-(chloromethyl)phenoxy]methyl]phenol has a molecular weight of 406.50 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,6-dibromo-4-(chloromethyl)phenoxy]methyl]phenol is sourced from PubChem (CID 107745437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).