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

C16H16BrClO2 — CID 43324667

IUPAC4-(bromomethyl)-1-[(4-chlorophenyl)methoxy]-2-ethoxybenzene
SMILESCCOc1cc(CBr)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C16H16BrClO2/c1-2-19-16-9-13(10-17)5-8-15(16)20-11-12-3-6-14(18)7-4-12/h3-9H,2,10-11H2,1H3
InChIKeyHAFCWGGLRFNPSW-UHFFFAOYSA-N
MW355.66 g/mol
LogP5.21
Rot. Bonds6

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

4-(bromomethyl)-1-[(4-chlorophenyl)methoxy]-2-ethoxybenzene (PubChem CID 43324667) has the molecular formula C16H16BrClO2 and a molecular weight of 355.66 g/mol. Its IUPAC name is 4-(bromomethyl)-1-[(4-chlorophenyl)methoxy]-2-ethoxybenzene.

Molecular Properties

Compound Name4-(bromomethyl)-1-[(4-chlorophenyl)methoxy]-2-ethoxybenzene
PubChem CID43324667
Molecular FormulaC16H16BrClO2
Molecular Weight355.66 g/mol
Exact Mass354.00
IUPAC Name4-(bromomethyl)-1-[(4-chlorophenyl)methoxy]-2-ethoxybenzene
SMILESCCOc1cc(CBr)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C16H16BrClO2/c1-2-19-16-9-13(10-17)5-8-15(16)20-11-12-3-6-14(18)7-4-12/h3-9H,2,10-11H2,1H3
InChIKeyHAFCWGGLRFNPSW-UHFFFAOYSA-N
XLogP5.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.66
LogP ≤ 55.21
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)-2-ethoxy-1-[(4-iodophenyl)methoxy]benzene
CID 65479456
1-[[4-(bromomethyl)-2-ethoxyphenoxy]methyl]-2,4-dichlorobenzene
CID 43324659
[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-[(4-methylphenyl)methyl]azanium
CID 8635379
1-[[4-(bromomethyl)-2-ethoxyphenoxy]methyl]-2,3-dichlorobenzene
CID 107306903
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-(4-fluorophenyl)methanamine
CID 4718394
(2S)-N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]butan-2-amine
CID 40726642
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]butan-1-amine
CID 4722560
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-N',N'-diethylethane-1,2-diamine
CID 4720435
4-(bromomethyl)-1-[(2-bromophenyl)methoxy]-2-ethoxybenzene
CID 43324658
4-[(4-chlorophenyl)methoxy]-3-ethoxybenzohydrazide
CID 91679833
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]octan-1-amine
CID 4722733
(2S)-2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]butan-1-ol
CID 40726401

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-[(4-chlorophenyl)methoxy]-2-ethoxybenzene?
The IUPAC name of 4-(bromomethyl)-1-[(4-chlorophenyl)methoxy]-2-ethoxybenzene (CID 43324667) is 4-(bromomethyl)-1-[(4-chlorophenyl)methoxy]-2-ethoxybenzene.
What is the SMILES notation for 4-(bromomethyl)-1-[(4-chlorophenyl)methoxy]-2-ethoxybenzene?
The canonical SMILES for 4-(bromomethyl)-1-[(4-chlorophenyl)methoxy]-2-ethoxybenzene is CCOc1cc(CBr)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 4-(bromomethyl)-1-[(4-chlorophenyl)methoxy]-2-ethoxybenzene?
The InChIKey is HAFCWGGLRFNPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClO2/c1-2-19-16-9-13(10-17)5-8-15(16)20-11-12-3-6-14(18)7-4-12/h3-9H,2,10-11H2,1H3.
What are the key properties of 4-(bromomethyl)-1-[(4-chlorophenyl)methoxy]-2-ethoxybenzene?
4-(bromomethyl)-1-[(4-chlorophenyl)methoxy]-2-ethoxybenzene has a molecular weight of 355.66 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-[(4-chlorophenyl)methoxy]-2-ethoxybenzene is sourced from PubChem (CID 43324667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).