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

C16H16Br2O2 — CID 43324658

IUPAC4-(bromomethyl)-1-[(2-bromophenyl)methoxy]-2-ethoxybenzene
SMILESCCOc1cc(CBr)ccc1OCc1ccccc1Br
InChIInChI=1S/C16H16Br2O2/c1-2-19-16-9-12(10-17)7-8-15(16)20-11-13-5-3-4-6-14(13)18/h3-9H,2,10-11H2,1H3
InChIKeyLTTFTXDZGKWJRH-UHFFFAOYSA-N
MW400.11 g/mol
LogP5.32
Rot. Bonds6

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

4-(bromomethyl)-1-[(2-bromophenyl)methoxy]-2-ethoxybenzene (PubChem CID 43324658) has the molecular formula C16H16Br2O2 and a molecular weight of 400.11 g/mol. Its IUPAC name is 4-(bromomethyl)-1-[(2-bromophenyl)methoxy]-2-ethoxybenzene.

Molecular Properties

Compound Name4-(bromomethyl)-1-[(2-bromophenyl)methoxy]-2-ethoxybenzene
PubChem CID43324658
Molecular FormulaC16H16Br2O2
Molecular Weight400.11 g/mol
Exact Mass397.95
IUPAC Name4-(bromomethyl)-1-[(2-bromophenyl)methoxy]-2-ethoxybenzene
SMILESCCOc1cc(CBr)ccc1OCc1ccccc1Br
InChIInChI=1S/C16H16Br2O2/c1-2-19-16-9-12(10-17)7-8-15(16)20-11-13-5-3-4-6-14(13)18/h3-9H,2,10-11H2,1H3
InChIKeyLTTFTXDZGKWJRH-UHFFFAOYSA-N
XLogP5.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.11
LogP ≤ 55.32
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

1-[(2-bromophenyl)methoxy]-4-(chloromethyl)-2-ethoxybenzene
CID 28555321
1-[[4-(bromomethyl)-2-ethoxyphenoxy]methyl]-2,3-dichlorobenzene
CID 107306903
1-[[4-(bromomethyl)-2-ethoxyphenoxy]methyl]-2,4-dichlorobenzene
CID 43324659
4-(bromomethyl)-1-[(4-chlorophenyl)methoxy]-2-ethoxybenzene
CID 43324667
4-(bromomethyl)-2-ethoxy-1-[(4-iodophenyl)methoxy]benzene
CID 65479456
4-(bromomethyl)-1-[(2-bromophenyl)methoxy]-2-nitrobenzene
CID 43141649
1-(bromomethyl)-2-[(2-bromophenyl)methoxy]-3-ethoxybenzene
CID 43366838
1-bromo-2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]-4-methoxybenzene
CID 65323171
(1S)-1-[5-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanol
CID 55189545
1-[(2-bromophenyl)methyl]-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazine-1,4-diium
CID 6982173
2-[[3,4-bis[(2-bromophenyl)methoxy]phenyl]methyl]-3H-1,2,4-oxadiazole
CID 141114585
(E)-2-benzamido-3-[4-[(2-bromophenyl)methoxy]-3-ethoxyphenyl]prop-2-enoic acid
CID 6210094

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-[(2-bromophenyl)methoxy]-2-ethoxybenzene?
The IUPAC name of 4-(bromomethyl)-1-[(2-bromophenyl)methoxy]-2-ethoxybenzene (CID 43324658) is 4-(bromomethyl)-1-[(2-bromophenyl)methoxy]-2-ethoxybenzene.
What is the SMILES notation for 4-(bromomethyl)-1-[(2-bromophenyl)methoxy]-2-ethoxybenzene?
The canonical SMILES for 4-(bromomethyl)-1-[(2-bromophenyl)methoxy]-2-ethoxybenzene is CCOc1cc(CBr)ccc1OCc1ccccc1Br.
What is the InChIKey of 4-(bromomethyl)-1-[(2-bromophenyl)methoxy]-2-ethoxybenzene?
The InChIKey is LTTFTXDZGKWJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2O2/c1-2-19-16-9-12(10-17)7-8-15(16)20-11-13-5-3-4-6-14(13)18/h3-9H,2,10-11H2,1H3.
What are the key properties of 4-(bromomethyl)-1-[(2-bromophenyl)methoxy]-2-ethoxybenzene?
4-(bromomethyl)-1-[(2-bromophenyl)methoxy]-2-ethoxybenzene has a molecular weight of 400.11 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-[(2-bromophenyl)methoxy]-2-ethoxybenzene is sourced from PubChem (CID 43324658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).