2-(bromomethyl)-1-chloro-3-[(4-methylphenyl)methoxy]benzene

C15H14BrClO — CID 113277003

IUPAC2-(bromomethyl)-1-chloro-3-[(4-methylphenyl)methoxy]benzene
SMILESCc1ccc(COc2cccc(Cl)c2CBr)cc1
InChIInChI=1S/C15H14BrClO/c1-11-5-7-12(8-6-11)10-18-15-4-2-3-14(17)13(15)9-16/h2-8H,9-10H2,1H3
InChIKeyYUXMMJBPWSLTOZ-UHFFFAOYSA-N
MW325.63 g/mol
LogP5.12
Rot. Bonds4

About 2-(bromomethyl)-1-chloro-3-[(4-methylphenyl)methoxy]benzene

2-(bromomethyl)-1-chloro-3-[(4-methylphenyl)methoxy]benzene (PubChem CID 113277003) has the molecular formula C15H14BrClO and a molecular weight of 325.63 g/mol. Its IUPAC name is 2-(bromomethyl)-1-chloro-3-[(4-methylphenyl)methoxy]benzene.

Molecular Properties

Compound Name2-(bromomethyl)-1-chloro-3-[(4-methylphenyl)methoxy]benzene
PubChem CID113277003
Molecular FormulaC15H14BrClO
Molecular Weight325.63 g/mol
Exact Mass323.99
IUPAC Name2-(bromomethyl)-1-chloro-3-[(4-methylphenyl)methoxy]benzene
SMILESCc1ccc(COc2cccc(Cl)c2CBr)cc1
InChIInChI=1S/C15H14BrClO/c1-11-5-7-12(8-6-11)10-18-15-4-2-3-14(17)13(15)9-16/h2-8H,9-10H2,1H3
InChIKeyYUXMMJBPWSLTOZ-UHFFFAOYSA-N
XLogP5.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.63
LogP ≤ 55.12
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-(bromomethyl)-1-chloro-3-[(2,5-dimethylphenyl)methoxy]benzene
CID 113276988
N-[[2-chloro-6-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 114319406
3-[[2-(bromomethyl)-3-chlorophenoxy]methyl]thiophene
CID 114320906
5-[[2-(bromomethyl)-3-chlorophenoxy]methyl]-2-methoxybenzonitrile
CID 114320911
5-[[2-(bromomethyl)-3-chlorophenoxy]methyl]-2-fluorobenzonitrile
CID 107882638
2-[[2-(bromomethyl)-3-chlorophenoxy]methyl]-4,5-dimethyl-1,3-thiazole
CID 113276966
2-bromo-4-(bromomethyl)-1-[(4-methylphenyl)methoxy]benzene
CID 63534889
2-chloro-N'-hydroxy-6-[(4-methylphenyl)methoxy]benzenecarboximidamide
CID 114323317
1-[(5-bromo-2-methoxyphenyl)methoxy]-2-(bromomethyl)-3-chlorobenzene
CID 114321006
N-[[2-chloro-6-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 114319059
[2-chloro-6-[(3,4-dimethylphenyl)methoxy]phenyl]methanamine
CID 114318594
1-bromo-2-[[2-(bromomethyl)-3-chlorophenoxy]methyl]-4-methoxybenzene
CID 114321028

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1-chloro-3-[(4-methylphenyl)methoxy]benzene?
The IUPAC name of 2-(bromomethyl)-1-chloro-3-[(4-methylphenyl)methoxy]benzene (CID 113277003) is 2-(bromomethyl)-1-chloro-3-[(4-methylphenyl)methoxy]benzene.
What is the SMILES notation for 2-(bromomethyl)-1-chloro-3-[(4-methylphenyl)methoxy]benzene?
The canonical SMILES for 2-(bromomethyl)-1-chloro-3-[(4-methylphenyl)methoxy]benzene is Cc1ccc(COc2cccc(Cl)c2CBr)cc1.
What is the InChIKey of 2-(bromomethyl)-1-chloro-3-[(4-methylphenyl)methoxy]benzene?
The InChIKey is YUXMMJBPWSLTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClO/c1-11-5-7-12(8-6-11)10-18-15-4-2-3-14(17)13(15)9-16/h2-8H,9-10H2,1H3.
What are the key properties of 2-(bromomethyl)-1-chloro-3-[(4-methylphenyl)methoxy]benzene?
2-(bromomethyl)-1-chloro-3-[(4-methylphenyl)methoxy]benzene has a molecular weight of 325.63 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1-chloro-3-[(4-methylphenyl)methoxy]benzene is sourced from PubChem (CID 113277003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).