1-bromo-5-(bromomethyl)-2-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzene

C15H12Br2Cl2O2 — CID 43622800

IUPAC1-bromo-5-(bromomethyl)-2-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzene
SMILESCOc1cc(CBr)cc(Br)c1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Br2Cl2O2/c1-20-14-6-10(7-16)4-11(17)15(14)21-8-9-2-3-12(18)13(19)5-9/h2-6H,7-8H2,1H3
InChIKeyNRUUDMMQQMYDJW-UHFFFAOYSA-N
MW454.97 g/mol
LogP6.24
Rot. Bonds5

About 1-bromo-5-(bromomethyl)-2-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzene

1-bromo-5-(bromomethyl)-2-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzene (PubChem CID 43622800) has the molecular formula C15H12Br2Cl2O2 and a molecular weight of 454.97 g/mol. Its IUPAC name is 1-bromo-5-(bromomethyl)-2-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzene.

Molecular Properties

Compound Name1-bromo-5-(bromomethyl)-2-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzene
PubChem CID43622800
Molecular FormulaC15H12Br2Cl2O2
Molecular Weight454.97 g/mol
Exact Mass451.86
IUPAC Name1-bromo-5-(bromomethyl)-2-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzene
SMILESCOc1cc(CBr)cc(Br)c1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Br2Cl2O2/c1-20-14-6-10(7-16)4-11(17)15(14)21-8-9-2-3-12(18)13(19)5-9/h2-6H,7-8H2,1H3
InChIKeyNRUUDMMQQMYDJW-UHFFFAOYSA-N
XLogP6.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.97
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]propan-1-ol
CID 170887606
N-[[3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 17056821
N-[[3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]cyclopentanamine
CID 17056841
2-[[3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]-2-methylpropan-1-ol
CID 17056835
N'-[[3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-N-methylpropane-1,3-diamine
CID 17056925
(2R)-1-[[3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]propan-2-ol
CID 29187953
1-bromo-5-(bromomethyl)-2-[(3,4-difluorophenyl)methoxy]-3-methoxybenzene
CID 82916368
N-[[3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
CID 17056886
[3-bromo-4-[(3-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methanol
CID 103038353
4-[[[3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]methyl]benzoic acid;hydrochloride
CID 17056900
N-[[3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-thiophen-2-ylmethanamine;hydrochloride
CID 17056852
N-[[3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-propan-2-yloxypropan-1-amine
CID 17209125

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-(bromomethyl)-2-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzene?
The IUPAC name of 1-bromo-5-(bromomethyl)-2-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzene (CID 43622800) is 1-bromo-5-(bromomethyl)-2-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzene.
What is the SMILES notation for 1-bromo-5-(bromomethyl)-2-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzene?
The canonical SMILES for 1-bromo-5-(bromomethyl)-2-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzene is COc1cc(CBr)cc(Br)c1OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-bromo-5-(bromomethyl)-2-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzene?
The InChIKey is NRUUDMMQQMYDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2Cl2O2/c1-20-14-6-10(7-16)4-11(17)15(14)21-8-9-2-3-12(18)13(19)5-9/h2-6H,7-8H2,1H3.
What are the key properties of 1-bromo-5-(bromomethyl)-2-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzene?
1-bromo-5-(bromomethyl)-2-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzene has a molecular weight of 454.97 g/mol, XLogP of 6.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-(bromomethyl)-2-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzene is sourced from PubChem (CID 43622800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).