2,4-dibromo-1-[4-(chloromethyl)-2-methylphenoxy]benzene

C14H11Br2ClO — CID 64720664

IUPAC2,4-dibromo-1-[4-(chloromethyl)-2-methylphenoxy]benzene
SMILESCc1cc(CCl)ccc1Oc1ccc(Br)cc1Br
InChIInChI=1S/C14H11Br2ClO/c1-9-6-10(8-17)2-4-13(9)18-14-5-3-11(15)7-12(14)16/h2-7H,8H2,1H3
InChIKeyRYCHFAQRZFMRNK-UHFFFAOYSA-N
MW390.50 g/mol
LogP6.05
Rot. Bonds3

About 2,4-dibromo-1-[4-(chloromethyl)-2-methylphenoxy]benzene

2,4-dibromo-1-[4-(chloromethyl)-2-methylphenoxy]benzene (PubChem CID 64720664) has the molecular formula C14H11Br2ClO and a molecular weight of 390.50 g/mol. Its IUPAC name is 2,4-dibromo-1-[4-(chloromethyl)-2-methylphenoxy]benzene.

Molecular Properties

Compound Name2,4-dibromo-1-[4-(chloromethyl)-2-methylphenoxy]benzene
PubChem CID64720664
Molecular FormulaC14H11Br2ClO
Molecular Weight390.50 g/mol
Exact Mass387.89
IUPAC Name2,4-dibromo-1-[4-(chloromethyl)-2-methylphenoxy]benzene
SMILESCc1cc(CCl)ccc1Oc1ccc(Br)cc1Br
InChIInChI=1S/C14H11Br2ClO/c1-9-6-10(8-17)2-4-13(9)18-14-5-3-11(15)7-12(14)16/h2-7H,8H2,1H3
InChIKeyRYCHFAQRZFMRNK-UHFFFAOYSA-N
XLogP6.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.50
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromophenoxy)-4-(chloromethyl)-2-methylbenzene
CID 63565881
[4-(4-bromo-2-chlorophenoxy)-3-methylphenyl]methanol
CID 63540802
2,4-dibromo-1-[2-bromo-4-(bromomethyl)phenoxy]benzene
CID 114062644
2-bromo-1-[2-bromo-4-(chloromethyl)phenoxy]-4-fluorobenzene
CID 114062604
4-(chloromethyl)-1-(2-fluorophenoxy)-2-methylbenzene
CID 63565705
2,4-dibromo-1-[4-chloro-2-(chloromethyl)phenoxy]benzene
CID 114847129
2-(4-bromophenoxy)-4-(chloromethyl)-1-methylbenzene
CID 105405984
2,4-dibromo-1-[2-(chloromethyl)-4-fluorophenoxy]benzene
CID 64720458
2-[4-(2-bromo-4-methylphenoxy)-3-methylphenyl]ethanamine
CID 63802463
1-(5-bromo-2-fluorophenoxy)-4-(bromomethyl)-2-methylbenzene
CID 107089318
[3-bromo-4-(2,4-dimethylphenoxy)phenyl]methanamine
CID 82797229
2-[4-(4-bromo-2-fluorophenoxy)-3-methylphenyl]ethanamine
CID 55238939

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-1-[4-(chloromethyl)-2-methylphenoxy]benzene?
The IUPAC name of 2,4-dibromo-1-[4-(chloromethyl)-2-methylphenoxy]benzene (CID 64720664) is 2,4-dibromo-1-[4-(chloromethyl)-2-methylphenoxy]benzene.
What is the SMILES notation for 2,4-dibromo-1-[4-(chloromethyl)-2-methylphenoxy]benzene?
The canonical SMILES for 2,4-dibromo-1-[4-(chloromethyl)-2-methylphenoxy]benzene is Cc1cc(CCl)ccc1Oc1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-1-[4-(chloromethyl)-2-methylphenoxy]benzene?
The InChIKey is RYCHFAQRZFMRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2ClO/c1-9-6-10(8-17)2-4-13(9)18-14-5-3-11(15)7-12(14)16/h2-7H,8H2,1H3.
What are the key properties of 2,4-dibromo-1-[4-(chloromethyl)-2-methylphenoxy]benzene?
2,4-dibromo-1-[4-(chloromethyl)-2-methylphenoxy]benzene has a molecular weight of 390.50 g/mol, XLogP of 6.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-1-[4-(chloromethyl)-2-methylphenoxy]benzene is sourced from PubChem (CID 64720664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).