1-bromo-4-[2-chloroethoxy(phenyl)methyl]benzene

C15H14BrClO — CID 131667562

IUPAC1-bromo-4-[2-chloroethoxy(phenyl)methyl]benzene
SMILESClCCOC(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrClO/c16-14-8-6-13(7-9-14)15(18-11-10-17)12-4-2-1-3-5-12/h1-9,15H,10-11H2
InChIKeyMYEKQAWCNLJISB-UHFFFAOYSA-N
MW325.63 g/mol
LogP4.79
Rot. Bonds5

About 1-bromo-4-[2-chloroethoxy(phenyl)methyl]benzene

1-bromo-4-[2-chloroethoxy(phenyl)methyl]benzene (PubChem CID 131667562) has the molecular formula C15H14BrClO and a molecular weight of 325.63 g/mol. Its IUPAC name is 1-bromo-4-[2-chloroethoxy(phenyl)methyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[2-chloroethoxy(phenyl)methyl]benzene
PubChem CID131667562
Molecular FormulaC15H14BrClO
Molecular Weight325.63 g/mol
Exact Mass323.99
IUPAC Name1-bromo-4-[2-chloroethoxy(phenyl)methyl]benzene
SMILESClCCOC(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrClO/c16-14-8-6-13(7-9-14)15(18-11-10-17)12-4-2-1-3-5-12/h1-9,15H,10-11H2
InChIKeyMYEKQAWCNLJISB-UHFFFAOYSA-N
XLogP4.79
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 ≤ 54.79
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-[(4-bromophenyl)-phenylmethoxy]-N-[chloro(dideuterio)methyl]-1-deuterio-N-(trideuteriomethyl)ethanamine;hydrochloride
CID 91885114
N'-[2-[(4-bromophenyl)-phenylmethoxy]ethyl]-N'-methylmethanediamine;dihydrochloride
CID 121230654
1-bromo-4-[(4-bromophenyl)-phenylmethyl]benzene
CID 5083697
1-methyl-4-[phenyl(propoxy)methyl]benzene
CID 54382280
2-[(S)-(3,4-dimethylphenyl)-phenylmethoxy]ethyl-dimethylazanium
CID 7745828
2-[(4-chlorophenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 29152
2-[(4-chlorophenyl)-phenylmethoxy]ethyl-trimethylazanium
CID 5051949
2-[2-[(4-bromophenyl)-(4-methylphenyl)methoxy]ethyl]isoindole-1,3-dione
CID 143066752
2-benzhydryloxyethyl(trimethyl)azanium
CID 26536
3-benzhydryloxypropylbenzene
CID 11255103
2-benzhydryloxy-N-(2-chloroethyl)-N-methylethanamine;2-[2-benzhydryloxyethyl(methyl)amino]ethanol
CID 158709757
(S)-(4-bromophenyl)-phenylmethanol
CID 778571

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[2-chloroethoxy(phenyl)methyl]benzene?
The IUPAC name of 1-bromo-4-[2-chloroethoxy(phenyl)methyl]benzene (CID 131667562) is 1-bromo-4-[2-chloroethoxy(phenyl)methyl]benzene.
What is the SMILES notation for 1-bromo-4-[2-chloroethoxy(phenyl)methyl]benzene?
The canonical SMILES for 1-bromo-4-[2-chloroethoxy(phenyl)methyl]benzene is ClCCOC(c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[2-chloroethoxy(phenyl)methyl]benzene?
The InChIKey is MYEKQAWCNLJISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClO/c16-14-8-6-13(7-9-14)15(18-11-10-17)12-4-2-1-3-5-12/h1-9,15H,10-11H2.
What are the key properties of 1-bromo-4-[2-chloroethoxy(phenyl)methyl]benzene?
1-bromo-4-[2-chloroethoxy(phenyl)methyl]benzene has a molecular weight of 325.63 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[2-chloroethoxy(phenyl)methyl]benzene is sourced from PubChem (CID 131667562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).