1-[[4-(bromomethyl)-2-ethoxyphenoxy]methyl]-2,3-dichlorobenzene

C16H15BrCl2O2 — CID 107306903

IUPAC1-[[4-(bromomethyl)-2-ethoxyphenoxy]methyl]-2,3-dichlorobenzene
SMILESCCOc1cc(CBr)ccc1OCc1cccc(Cl)c1Cl
InChIInChI=1S/C16H15BrCl2O2/c1-2-20-15-8-11(9-17)6-7-14(15)21-10-12-4-3-5-13(18)16(12)19/h3-8H,2,9-10H2,1H3
InChIKeyUHJWJOHAKLOKFY-UHFFFAOYSA-N
MW390.10 g/mol
LogP5.87
Rot. Bonds6

About 1-[[4-(bromomethyl)-2-ethoxyphenoxy]methyl]-2,3-dichlorobenzene

1-[[4-(bromomethyl)-2-ethoxyphenoxy]methyl]-2,3-dichlorobenzene (PubChem CID 107306903) has the molecular formula C16H15BrCl2O2 and a molecular weight of 390.10 g/mol. Its IUPAC name is 1-[[4-(bromomethyl)-2-ethoxyphenoxy]methyl]-2,3-dichlorobenzene.

Molecular Properties

Compound Name1-[[4-(bromomethyl)-2-ethoxyphenoxy]methyl]-2,3-dichlorobenzene
PubChem CID107306903
Molecular FormulaC16H15BrCl2O2
Molecular Weight390.10 g/mol
Exact Mass387.96
IUPAC Name1-[[4-(bromomethyl)-2-ethoxyphenoxy]methyl]-2,3-dichlorobenzene
SMILESCCOc1cc(CBr)ccc1OCc1cccc(Cl)c1Cl
InChIInChI=1S/C16H15BrCl2O2/c1-2-20-15-8-11(9-17)6-7-14(15)21-10-12-4-3-5-13(18)16(12)19/h3-8H,2,9-10H2,1H3
InChIKeyUHJWJOHAKLOKFY-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

1-[[4-(bromomethyl)-2-ethoxyphenoxy]methyl]-2,4-dichlorobenzene
CID 43324659
4-(bromomethyl)-1-[(2-bromophenyl)methoxy]-2-ethoxybenzene
CID 43324658
4-(bromomethyl)-1-[(4-chlorophenyl)methoxy]-2-ethoxybenzene
CID 43324667
4-(bromomethyl)-2-ethoxy-1-[(4-iodophenyl)methoxy]benzene
CID 65479456
1-[(2-bromophenyl)methoxy]-4-(chloromethyl)-2-ethoxybenzene
CID 28555321
3-chloro-N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methylaniline
CID 126125649
3-[(2,3-dichlorophenyl)methoxy]-4-methoxyaniline
CID 107305414
1-[[4-(bromomethyl)-2-chlorophenoxy]methyl]naphthalene
CID 63534211
(1R)-1-[2-[(2,3-dichlorophenyl)methoxy]-5-methylphenyl]ethanol
CID 107306824
N'-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-N-ethylpropane-1,3-diamine
CID 17215470
[4-[(2,3-dichlorophenyl)methoxy]-3-fluorophenyl]methanol
CID 107690673
[4-[(2,3-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686326

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(bromomethyl)-2-ethoxyphenoxy]methyl]-2,3-dichlorobenzene?
The IUPAC name of 1-[[4-(bromomethyl)-2-ethoxyphenoxy]methyl]-2,3-dichlorobenzene (CID 107306903) is 1-[[4-(bromomethyl)-2-ethoxyphenoxy]methyl]-2,3-dichlorobenzene.
What is the SMILES notation for 1-[[4-(bromomethyl)-2-ethoxyphenoxy]methyl]-2,3-dichlorobenzene?
The canonical SMILES for 1-[[4-(bromomethyl)-2-ethoxyphenoxy]methyl]-2,3-dichlorobenzene is CCOc1cc(CBr)ccc1OCc1cccc(Cl)c1Cl.
What is the InChIKey of 1-[[4-(bromomethyl)-2-ethoxyphenoxy]methyl]-2,3-dichlorobenzene?
The InChIKey is UHJWJOHAKLOKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrCl2O2/c1-2-20-15-8-11(9-17)6-7-14(15)21-10-12-4-3-5-13(18)16(12)19/h3-8H,2,9-10H2,1H3.
What are the key properties of 1-[[4-(bromomethyl)-2-ethoxyphenoxy]methyl]-2,3-dichlorobenzene?
1-[[4-(bromomethyl)-2-ethoxyphenoxy]methyl]-2,3-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]-2,3-dichlorobenzene is sourced from PubChem (CID 107306903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).