1-[[4-(bromomethyl)-2-ethoxyphenoxy]methyl]-2,4-dichlorobenzene

C16H15BrCl2O2 — CID 43324659

IUPAC1-[[4-(bromomethyl)-2-ethoxyphenoxy]methyl]-2,4-dichlorobenzene
SMILESCCOc1cc(CBr)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15BrCl2O2/c1-2-20-16-7-11(9-17)3-6-15(16)21-10-12-4-5-13(18)8-14(12)19/h3-8H,2,9-10H2,1H3
InChIKeyMNJWIGKXENJXFL-UHFFFAOYSA-N
MW390.10 g/mol
LogP5.87
Rot. Bonds6

About 1-[[4-(bromomethyl)-2-ethoxyphenoxy]methyl]-2,4-dichlorobenzene

1-[[4-(bromomethyl)-2-ethoxyphenoxy]methyl]-2,4-dichlorobenzene (PubChem CID 43324659) has the molecular formula C16H15BrCl2O2 and a molecular weight of 390.10 g/mol. Its IUPAC name is 1-[[4-(bromomethyl)-2-ethoxyphenoxy]methyl]-2,4-dichlorobenzene.

Molecular Properties

Compound Name1-[[4-(bromomethyl)-2-ethoxyphenoxy]methyl]-2,4-dichlorobenzene
PubChem CID43324659
Molecular FormulaC16H15BrCl2O2
Molecular Weight390.10 g/mol
Exact Mass387.96
IUPAC Name1-[[4-(bromomethyl)-2-ethoxyphenoxy]methyl]-2,4-dichlorobenzene
SMILESCCOc1cc(CBr)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15BrCl2O2/c1-2-20-16-7-11(9-17)3-6-15(16)21-10-12-4-5-13(18)8-14(12)19/h3-8H,2,9-10H2,1H3
InChIKeyMNJWIGKXENJXFL-UHFFFAOYSA-N
XLogP5.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.10
LogP ≤ 55.87
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-[(4-chlorophenyl)methoxy]-2-ethoxybenzene
CID 43324667
1-[[4-(bromomethyl)-2-ethoxyphenoxy]methyl]-2,3-dichlorobenzene
CID 107306903
(2S)-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]butan-2-amine
CID 40726644
2-(4-chlorophenyl)-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]ethanamine;hydrochloride
CID 17208457
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]cyclohexanamine
CID 4721498
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]pentan-1-amine;hydrochloride
CID 17290984
(2R)-1-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]propan-2-ol
CID 51432621
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]heptan-1-amine
CID 4716899
N',N'-dibutyl-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]propane-1,3-diamine
CID 17214534
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-N',N'-diethylpropane-1,3-diamine;dihydrochloride
CID 17215005
1-(1,3-benzodioxol-5-yl)-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]methanamine
CID 4718020
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-(4-fluorophenyl)ethanamine
CID 4718408

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(bromomethyl)-2-ethoxyphenoxy]methyl]-2,4-dichlorobenzene?
The IUPAC name of 1-[[4-(bromomethyl)-2-ethoxyphenoxy]methyl]-2,4-dichlorobenzene (CID 43324659) is 1-[[4-(bromomethyl)-2-ethoxyphenoxy]methyl]-2,4-dichlorobenzene.
What is the SMILES notation for 1-[[4-(bromomethyl)-2-ethoxyphenoxy]methyl]-2,4-dichlorobenzene?
The canonical SMILES for 1-[[4-(bromomethyl)-2-ethoxyphenoxy]methyl]-2,4-dichlorobenzene is CCOc1cc(CBr)ccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[[4-(bromomethyl)-2-ethoxyphenoxy]methyl]-2,4-dichlorobenzene?
The InChIKey is MNJWIGKXENJXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrCl2O2/c1-2-20-16-7-11(9-17)3-6-15(16)21-10-12-4-5-13(18)8-14(12)19/h3-8H,2,9-10H2,1H3.
What are the key properties of 1-[[4-(bromomethyl)-2-ethoxyphenoxy]methyl]-2,4-dichlorobenzene?
1-[[4-(bromomethyl)-2-ethoxyphenoxy]methyl]-2,4-dichlorobenzene has a molecular weight of 390.10 g/mol, XLogP of 5.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(bromomethyl)-2-ethoxyphenoxy]methyl]-2,4-dichlorobenzene is sourced from PubChem (CID 43324659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).