1-(2-bromoethoxy)-2-[(4-chlorophenyl)methyl]benzene

C15H14BrClO — CID 56925902

IUPAC1-(2-bromoethoxy)-2-[(4-chlorophenyl)methyl]benzene
SMILESClc1ccc(Cc2ccccc2OCCBr)cc1
InChIInChI=1S/C15H14BrClO/c16-9-10-18-15-4-2-1-3-13(15)11-12-5-7-14(17)8-6-12/h1-8H,9-11H2
InChIKeyAOWPGVIOSPCZIA-UHFFFAOYSA-N
MW325.63 g/mol
LogP4.70
Rot. Bonds5

About 1-(2-bromoethoxy)-2-[(4-chlorophenyl)methyl]benzene

1-(2-bromoethoxy)-2-[(4-chlorophenyl)methyl]benzene (PubChem CID 56925902) has the molecular formula C15H14BrClO and a molecular weight of 325.63 g/mol. Its IUPAC name is 1-(2-bromoethoxy)-2-[(4-chlorophenyl)methyl]benzene.

Molecular Properties

Compound Name1-(2-bromoethoxy)-2-[(4-chlorophenyl)methyl]benzene
PubChem CID56925902
Molecular FormulaC15H14BrClO
Molecular Weight325.63 g/mol
Exact Mass323.99
IUPAC Name1-(2-bromoethoxy)-2-[(4-chlorophenyl)methyl]benzene
SMILESClc1ccc(Cc2ccccc2OCCBr)cc1
InChIInChI=1S/C15H14BrClO/c16-9-10-18-15-4-2-1-3-13(15)11-12-5-7-14(17)8-6-12/h1-8H,9-11H2
InChIKeyAOWPGVIOSPCZIA-UHFFFAOYSA-N
XLogP4.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.63
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(4-chlorophenyl)methyl]phenoxy]ethyl-diethyl-methylazanium iodide
CID 18528173
1-(2-bromoethoxy)-2-(chloromethyl)benzene
CID 155667771
1-chloro-4-[[2-(trifluoromethoxy)phenyl]methyl]benzene
CID 141398456
2-[(4-chlorophenyl)methyl]aniline
CID 18412139
2-[2-[[(4-chlorophenyl)methylamino]methyl]phenoxy]ethanol
CID 111457786
2-(2-benzylphenoxy)-N-methylethanamine
CID 12660328
2-(2-benzylphenoxy)-N-(4-chlorophenyl)acetamide
CID 7900618
N-methyl-4-[2-[(4-methylphenyl)methyl]phenoxy]butan-1-amine
CID 12660349
N-methyl-4-[2-[(4-methylphenyl)methyl]phenoxy]butan-1-amine;hydrochloride
CID 12660350
N-[2-(2-benzylphenoxy)ethyl]propan-2-amine
CID 62598105
5-(2-benzylphenoxy)-N-methylpentan-1-amine
CID 12660345
1-(3-bromopropoxy)-2-ethylbenzene
CID 43364278

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethoxy)-2-[(4-chlorophenyl)methyl]benzene?
The IUPAC name of 1-(2-bromoethoxy)-2-[(4-chlorophenyl)methyl]benzene (CID 56925902) is 1-(2-bromoethoxy)-2-[(4-chlorophenyl)methyl]benzene.
What is the SMILES notation for 1-(2-bromoethoxy)-2-[(4-chlorophenyl)methyl]benzene?
The canonical SMILES for 1-(2-bromoethoxy)-2-[(4-chlorophenyl)methyl]benzene is Clc1ccc(Cc2ccccc2OCCBr)cc1.
What is the InChIKey of 1-(2-bromoethoxy)-2-[(4-chlorophenyl)methyl]benzene?
The InChIKey is AOWPGVIOSPCZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClO/c16-9-10-18-15-4-2-1-3-13(15)11-12-5-7-14(17)8-6-12/h1-8H,9-11H2.
What are the key properties of 1-(2-bromoethoxy)-2-[(4-chlorophenyl)methyl]benzene?
1-(2-bromoethoxy)-2-[(4-chlorophenyl)methyl]benzene has a molecular weight of 325.63 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethoxy)-2-[(4-chlorophenyl)methyl]benzene is sourced from PubChem (CID 56925902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).