4-(bromomethyl)-1-[(4-bromophenyl)methoxy]-2-methoxybenzene

C15H14Br2O2 — CID 43141748

IUPAC4-(bromomethyl)-1-[(4-bromophenyl)methoxy]-2-methoxybenzene
SMILESCOc1cc(CBr)ccc1OCc1ccc(Br)cc1
InChIInChI=1S/C15H14Br2O2/c1-18-15-8-12(9-16)4-7-14(15)19-10-11-2-5-13(17)6-3-11/h2-8H,9-10H2,1H3
InChIKeyDKSACOSFTSYITO-UHFFFAOYSA-N
MW386.08 g/mol
LogP4.93
Rot. Bonds5

About 4-(bromomethyl)-1-[(4-bromophenyl)methoxy]-2-methoxybenzene

4-(bromomethyl)-1-[(4-bromophenyl)methoxy]-2-methoxybenzene (PubChem CID 43141748) has the molecular formula C15H14Br2O2 and a molecular weight of 386.08 g/mol. Its IUPAC name is 4-(bromomethyl)-1-[(4-bromophenyl)methoxy]-2-methoxybenzene.

Molecular Properties

Compound Name4-(bromomethyl)-1-[(4-bromophenyl)methoxy]-2-methoxybenzene
PubChem CID43141748
Molecular FormulaC15H14Br2O2
Molecular Weight386.08 g/mol
Exact Mass383.94
IUPAC Name4-(bromomethyl)-1-[(4-bromophenyl)methoxy]-2-methoxybenzene
SMILESCOc1cc(CBr)ccc1OCc1ccc(Br)cc1
InChIInChI=1S/C15H14Br2O2/c1-18-15-8-12(9-16)4-7-14(15)19-10-11-2-5-13(17)6-3-11/h2-8H,9-10H2,1H3
InChIKeyDKSACOSFTSYITO-UHFFFAOYSA-N
XLogP4.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.08
LogP ≤ 54.93
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

4-(bromomethyl)-1-[(3-bromophenyl)methoxy]-2-methoxybenzene
CID 43324722
[4-[(4-bromo-2-methoxyphenoxy)methyl]phenyl]methanamine
CID 22688736
4-[(4-bromophenyl)methoxy]-3-methoxybenzoate
CID 8706948
2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyrimidine
CID 62699007
4-(bromomethyl)-1-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene
CID 43324734
3-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyridine
CID 43324725
1-bromo-2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]-4-methoxybenzene
CID 65323171
4-(bromomethyl)-1-butoxy-2-methoxybenzene
CID 43141728
4-(bromomethyl)-1-(2-fluoroethoxy)-2-methoxybenzene
CID 80694773
4-(bromomethyl)-2-methoxy-1-(2-methylpropoxy)benzene
CID 43141726
4-(bromomethyl)-2-methoxy-1-(2,2,2-trifluoroethoxy)benzene
CID 43141747
1,3-dibromo-5-(bromomethyl)-2-[(4-bromophenyl)methoxy]benzene
CID 107745706

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-[(4-bromophenyl)methoxy]-2-methoxybenzene?
The IUPAC name of 4-(bromomethyl)-1-[(4-bromophenyl)methoxy]-2-methoxybenzene (CID 43141748) is 4-(bromomethyl)-1-[(4-bromophenyl)methoxy]-2-methoxybenzene.
What is the SMILES notation for 4-(bromomethyl)-1-[(4-bromophenyl)methoxy]-2-methoxybenzene?
The canonical SMILES for 4-(bromomethyl)-1-[(4-bromophenyl)methoxy]-2-methoxybenzene is COc1cc(CBr)ccc1OCc1ccc(Br)cc1.
What is the InChIKey of 4-(bromomethyl)-1-[(4-bromophenyl)methoxy]-2-methoxybenzene?
The InChIKey is DKSACOSFTSYITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2O2/c1-18-15-8-12(9-16)4-7-14(15)19-10-11-2-5-13(17)6-3-11/h2-8H,9-10H2,1H3.
What are the key properties of 4-(bromomethyl)-1-[(4-bromophenyl)methoxy]-2-methoxybenzene?
4-(bromomethyl)-1-[(4-bromophenyl)methoxy]-2-methoxybenzene has a molecular weight of 386.08 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-[(4-bromophenyl)methoxy]-2-methoxybenzene is sourced from PubChem (CID 43141748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).