1-[2-bromo-1-[(3-chlorophenyl)methoxy]ethyl]-2-methylbenzene

C16H16BrClO — CID 65124818

IUPAC1-[2-bromo-1-[(3-chlorophenyl)methoxy]ethyl]-2-methylbenzene
SMILESCc1ccccc1C(CBr)OCc1cccc(Cl)c1
InChIInChI=1S/C16H16BrClO/c1-12-5-2-3-8-15(12)16(10-17)19-11-13-6-4-7-14(18)9-13/h2-9,16H,10-11H2,1H3
InChIKeyOBVDBEYDNDHFDM-UHFFFAOYSA-N
MW339.66 g/mol
LogP5.30
Rot. Bonds5

About 1-[2-bromo-1-[(3-chlorophenyl)methoxy]ethyl]-2-methylbenzene

1-[2-bromo-1-[(3-chlorophenyl)methoxy]ethyl]-2-methylbenzene (PubChem CID 65124818) has the molecular formula C16H16BrClO and a molecular weight of 339.66 g/mol. Its IUPAC name is 1-[2-bromo-1-[(3-chlorophenyl)methoxy]ethyl]-2-methylbenzene.

Molecular Properties

Compound Name1-[2-bromo-1-[(3-chlorophenyl)methoxy]ethyl]-2-methylbenzene
PubChem CID65124818
Molecular FormulaC16H16BrClO
Molecular Weight339.66 g/mol
Exact Mass338.01
IUPAC Name1-[2-bromo-1-[(3-chlorophenyl)methoxy]ethyl]-2-methylbenzene
SMILESCc1ccccc1C(CBr)OCc1cccc(Cl)c1
InChIInChI=1S/C16H16BrClO/c1-12-5-2-3-8-15(12)16(10-17)19-11-13-6-4-7-14(18)9-13/h2-9,16H,10-11H2,1H3
InChIKeyOBVDBEYDNDHFDM-UHFFFAOYSA-N
XLogP5.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.66
LogP ≤ 55.30
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-[(3-chlorophenyl)methoxy]-2-(2-fluorophenyl)ethanamine
CID 65124766
2-[(3-chlorophenyl)methoxy]-2-(2-fluorophenyl)-N-methylethanamine
CID 65124389
2-[(3-methoxyphenyl)methoxy]-N-methyl-2-(2-methylphenyl)ethanamine
CID 62106288
1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine
CID 43694861
2-[(3-chlorophenyl)methoxy]-2-thiophen-2-ylethanamine
CID 65127349
1,3-dimethyl-2-(3-phenyl-1-phenylmethoxypropyl)benzene
CID 154712363
2-[(3-chlorophenyl)methoxy-hydroxymethyl]benzonitrile
CID 173075877
1-[2-bromo-1-(1,1,1-trifluoropropan-2-yloxy)ethyl]-2-methylbenzene
CID 66276806
1-[[2-bromo-1-(3-chlorophenyl)ethoxy]methyl]-2-chlorobenzene
CID 63468434
(1S)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine
CID 78936371
(1R)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine
CID 63367090
1-[(3-bromo-2-phenylpropoxy)methyl]-3-chlorobenzene
CID 65124851

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-1-[(3-chlorophenyl)methoxy]ethyl]-2-methylbenzene?
The IUPAC name of 1-[2-bromo-1-[(3-chlorophenyl)methoxy]ethyl]-2-methylbenzene (CID 65124818) is 1-[2-bromo-1-[(3-chlorophenyl)methoxy]ethyl]-2-methylbenzene.
What is the SMILES notation for 1-[2-bromo-1-[(3-chlorophenyl)methoxy]ethyl]-2-methylbenzene?
The canonical SMILES for 1-[2-bromo-1-[(3-chlorophenyl)methoxy]ethyl]-2-methylbenzene is Cc1ccccc1C(CBr)OCc1cccc(Cl)c1.
What is the InChIKey of 1-[2-bromo-1-[(3-chlorophenyl)methoxy]ethyl]-2-methylbenzene?
The InChIKey is OBVDBEYDNDHFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClO/c1-12-5-2-3-8-15(12)16(10-17)19-11-13-6-4-7-14(18)9-13/h2-9,16H,10-11H2,1H3.
What are the key properties of 1-[2-bromo-1-[(3-chlorophenyl)methoxy]ethyl]-2-methylbenzene?
1-[2-bromo-1-[(3-chlorophenyl)methoxy]ethyl]-2-methylbenzene has a molecular weight of 339.66 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-1-[(3-chlorophenyl)methoxy]ethyl]-2-methylbenzene is sourced from PubChem (CID 65124818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).