1,3-dibromo-5-(bromomethyl)-2-[(2,4-dichlorophenyl)methoxy]benzene

C14H9Br3Cl2O — CID 107745761

IUPAC1,3-dibromo-5-(bromomethyl)-2-[(2,4-dichlorophenyl)methoxy]benzene
SMILESClc1ccc(COc2c(Br)cc(CBr)cc2Br)c(Cl)c1
InChIInChI=1S/C14H9Br3Cl2O/c15-6-8-3-11(16)14(12(17)4-8)20-7-9-1-2-10(18)5-13(9)19/h1-5H,6-7H2
InChIKeyGDEJXWGPOBDMPG-UHFFFAOYSA-N
MW503.84 g/mol
LogP6.99
Rot. Bonds4

About 1,3-dibromo-5-(bromomethyl)-2-[(2,4-dichlorophenyl)methoxy]benzene

1,3-dibromo-5-(bromomethyl)-2-[(2,4-dichlorophenyl)methoxy]benzene (PubChem CID 107745761) has the molecular formula C14H9Br3Cl2O and a molecular weight of 503.84 g/mol. Its IUPAC name is 1,3-dibromo-5-(bromomethyl)-2-[(2,4-dichlorophenyl)methoxy]benzene.

Molecular Properties

Compound Name1,3-dibromo-5-(bromomethyl)-2-[(2,4-dichlorophenyl)methoxy]benzene
PubChem CID107745761
Molecular FormulaC14H9Br3Cl2O
Molecular Weight503.84 g/mol
Exact Mass499.76
IUPAC Name1,3-dibromo-5-(bromomethyl)-2-[(2,4-dichlorophenyl)methoxy]benzene
SMILESClc1ccc(COc2c(Br)cc(CBr)cc2Br)c(Cl)c1
InChIInChI=1S/C14H9Br3Cl2O/c15-6-8-3-11(16)14(12(17)4-8)20-7-9-1-2-10(18)5-13(9)19/h1-5H,6-7H2
InChIKeyGDEJXWGPOBDMPG-UHFFFAOYSA-N
XLogP6.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.84
LogP ≤ 56.99
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

5-(bromomethyl)-2-[(2-chloro-4-fluorophenyl)methoxy]-1,3-difluorobenzene
CID 79888589
1,3-dibromo-2-[(4-bromo-2-fluorophenyl)methoxy]-5-(bromomethyl)benzene
CID 107745679
N-[[3,5-dibromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
CID 126116346
1-bromo-5-(bromomethyl)-2-[(5-chloro-2-fluorophenyl)methoxy]-3-methoxybenzene
CID 103047056
3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]benzoyl chloride
CID 91685911
N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724090
1-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]-N-methylmethanamine;hydrochloride
CID 17290699
N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]cyclopentanamine
CID 4715582
4-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenol
CID 2200346
N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]butan-1-amine;hydrochloride
CID 155971329
N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]propan-2-amine
CID 17155585
1,3-dibromo-2-[(5-chloro-2-fluorophenyl)methoxy]-5-(chloromethyl)benzene
CID 107745268

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-5-(bromomethyl)-2-[(2,4-dichlorophenyl)methoxy]benzene?
The IUPAC name of 1,3-dibromo-5-(bromomethyl)-2-[(2,4-dichlorophenyl)methoxy]benzene (CID 107745761) is 1,3-dibromo-5-(bromomethyl)-2-[(2,4-dichlorophenyl)methoxy]benzene.
What is the SMILES notation for 1,3-dibromo-5-(bromomethyl)-2-[(2,4-dichlorophenyl)methoxy]benzene?
The canonical SMILES for 1,3-dibromo-5-(bromomethyl)-2-[(2,4-dichlorophenyl)methoxy]benzene is Clc1ccc(COc2c(Br)cc(CBr)cc2Br)c(Cl)c1.
What is the InChIKey of 1,3-dibromo-5-(bromomethyl)-2-[(2,4-dichlorophenyl)methoxy]benzene?
The InChIKey is GDEJXWGPOBDMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br3Cl2O/c15-6-8-3-11(16)14(12(17)4-8)20-7-9-1-2-10(18)5-13(9)19/h1-5H,6-7H2.
What are the key properties of 1,3-dibromo-5-(bromomethyl)-2-[(2,4-dichlorophenyl)methoxy]benzene?
1,3-dibromo-5-(bromomethyl)-2-[(2,4-dichlorophenyl)methoxy]benzene has a molecular weight of 503.84 g/mol, XLogP of 6.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-5-(bromomethyl)-2-[(2,4-dichlorophenyl)methoxy]benzene is sourced from PubChem (CID 107745761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).