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

C14H10Br4O — CID 107745706

IUPAC1,3-dibromo-5-(bromomethyl)-2-[(4-bromophenyl)methoxy]benzene
SMILESBrCc1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1
InChIInChI=1S/C14H10Br4O/c15-7-10-5-12(17)14(13(18)6-10)19-8-9-1-3-11(16)4-2-9/h1-6H,7-8H2
InChIKeyKDULMESJEWROBZ-UHFFFAOYSA-N
MW513.85 g/mol
LogP6.45
Rot. Bonds4

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

1,3-dibromo-5-(bromomethyl)-2-[(4-bromophenyl)methoxy]benzene (PubChem CID 107745706) has the molecular formula C14H10Br4O and a molecular weight of 513.85 g/mol. Its IUPAC name is 1,3-dibromo-5-(bromomethyl)-2-[(4-bromophenyl)methoxy]benzene.

Molecular Properties

Compound Name1,3-dibromo-5-(bromomethyl)-2-[(4-bromophenyl)methoxy]benzene
PubChem CID107745706
Molecular FormulaC14H10Br4O
Molecular Weight513.85 g/mol
Exact Mass509.75
IUPAC Name1,3-dibromo-5-(bromomethyl)-2-[(4-bromophenyl)methoxy]benzene
SMILESBrCc1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1
InChIInChI=1S/C14H10Br4O/c15-7-10-5-12(17)14(13(18)6-10)19-8-9-1-3-11(16)4-2-9/h1-6H,7-8H2
InChIKeyKDULMESJEWROBZ-UHFFFAOYSA-N
XLogP6.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.85
LogP ≤ 56.45
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

1,3-dibromo-2-[(4-bromo-2-fluorophenyl)methoxy]-5-(bromomethyl)benzene
CID 107745679
4-[[2,6-dibromo-4-(chloromethyl)phenoxy]methyl]phenol
CID 107745437
4-(bromomethyl)-1-[(4-bromophenyl)methoxy]-2-methoxybenzene
CID 43141748
1,3-dibromo-5-(chloromethyl)-2-[(4-fluorophenyl)methoxy]benzene
CID 107745218
4-[[4-(aminomethyl)-2,6-dibromophenoxy]methyl]phenol
CID 107741447
3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorobenzoyl chloride
CID 91685943
1-bromo-5-(bromomethyl)-2-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzene
CID 43622800
2-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]ethanamine
CID 107739438
[3,5-dibromo-4-[(4-ethylphenyl)methoxy]phenyl]methanamine
CID 107741554
1,4-dibromo-2-[(4-bromophenyl)methoxy]benzene
CID 59330950
1,3-dibromo-5-(bromomethyl)-2-[(2,4-dichlorophenyl)methoxy]benzene
CID 107745761
2-[(4-bromophenyl)methoxy]-1,3-dimethoxybenzene
CID 6457254

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-5-(bromomethyl)-2-[(4-bromophenyl)methoxy]benzene?
The IUPAC name of 1,3-dibromo-5-(bromomethyl)-2-[(4-bromophenyl)methoxy]benzene (CID 107745706) is 1,3-dibromo-5-(bromomethyl)-2-[(4-bromophenyl)methoxy]benzene.
What is the SMILES notation for 1,3-dibromo-5-(bromomethyl)-2-[(4-bromophenyl)methoxy]benzene?
The canonical SMILES for 1,3-dibromo-5-(bromomethyl)-2-[(4-bromophenyl)methoxy]benzene is BrCc1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1.
What is the InChIKey of 1,3-dibromo-5-(bromomethyl)-2-[(4-bromophenyl)methoxy]benzene?
The InChIKey is KDULMESJEWROBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br4O/c15-7-10-5-12(17)14(13(18)6-10)19-8-9-1-3-11(16)4-2-9/h1-6H,7-8H2.
What are the key properties of 1,3-dibromo-5-(bromomethyl)-2-[(4-bromophenyl)methoxy]benzene?
1,3-dibromo-5-(bromomethyl)-2-[(4-bromophenyl)methoxy]benzene has a molecular weight of 513.85 g/mol, XLogP of 6.45, 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-[(4-bromophenyl)methoxy]benzene is sourced from PubChem (CID 107745706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).