2-bromo-1-(chloromethyl)-4-(2-chloro-5-methylphenoxy)benzene

C14H11BrCl2O — CID 114060625

IUPAC2-bromo-1-(chloromethyl)-4-(2-chloro-5-methylphenoxy)benzene
SMILESCc1ccc(Cl)c(Oc2ccc(CCl)c(Br)c2)c1
InChIInChI=1S/C14H11BrCl2O/c1-9-2-5-13(17)14(6-9)18-11-4-3-10(8-16)12(15)7-11/h2-7H,8H2,1H3
InChIKeyZGQDJQSGCVHMQC-UHFFFAOYSA-N
MW346.05 g/mol
LogP5.94
Rot. Bonds3

About 2-bromo-1-(chloromethyl)-4-(2-chloro-5-methylphenoxy)benzene

2-bromo-1-(chloromethyl)-4-(2-chloro-5-methylphenoxy)benzene (PubChem CID 114060625) has the molecular formula C14H11BrCl2O and a molecular weight of 346.05 g/mol. Its IUPAC name is 2-bromo-1-(chloromethyl)-4-(2-chloro-5-methylphenoxy)benzene.

Molecular Properties

Compound Name2-bromo-1-(chloromethyl)-4-(2-chloro-5-methylphenoxy)benzene
PubChem CID114060625
Molecular FormulaC14H11BrCl2O
Molecular Weight346.05 g/mol
Exact Mass343.94
IUPAC Name2-bromo-1-(chloromethyl)-4-(2-chloro-5-methylphenoxy)benzene
SMILESCc1ccc(Cl)c(Oc2ccc(CCl)c(Br)c2)c1
InChIInChI=1S/C14H11BrCl2O/c1-9-2-5-13(17)14(6-9)18-11-4-3-10(8-16)12(15)7-11/h2-7H,8H2,1H3
InChIKeyZGQDJQSGCVHMQC-UHFFFAOYSA-N
XLogP5.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.05
LogP ≤ 55.94
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

1-bromo-2,5-dichloro-4-[2-(chloromethyl)-4-methylphenoxy]benzene
CID 114054842
[4-(2-chloro-5-methylphenoxy)-2-methylphenyl]methanamine
CID 55038503
2-bromo-4-(2-chloro-5-methylphenoxy)benzoic acid
CID 107282496
2-bromo-1-(chloromethyl)-4-methoxybenzene
CID 18624207
5-bromo-3-(chloromethyl)-2-(2-chloro-5-methylphenoxy)pyridine
CID 63447244
1-chloro-4-methyl-2-(3-methylphenoxy)benzene
CID 54166558
3-(chloromethyl)-4-(2-chloro-5-methylphenoxy)pyridine
CID 81234889
[4-(4-bromo-2,5-dichlorophenoxy)-2-methylphenyl]methanamine
CID 107655066
[4-(2-bromo-4-methylphenoxy)-2-chlorophenyl]methanol
CID 114064332
1-chloro-2-(3-chlorophenoxy)-4-methylbenzene
CID 170985153
1-[4-(4-bromo-2,5-dichlorophenoxy)-2-methylphenyl]-N-methylmethanamine
CID 107659558
1-(chloromethyl)-4-methoxy-2-(4-methylphenoxy)benzene
CID 22767846

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(chloromethyl)-4-(2-chloro-5-methylphenoxy)benzene?
The IUPAC name of 2-bromo-1-(chloromethyl)-4-(2-chloro-5-methylphenoxy)benzene (CID 114060625) is 2-bromo-1-(chloromethyl)-4-(2-chloro-5-methylphenoxy)benzene.
What is the SMILES notation for 2-bromo-1-(chloromethyl)-4-(2-chloro-5-methylphenoxy)benzene?
The canonical SMILES for 2-bromo-1-(chloromethyl)-4-(2-chloro-5-methylphenoxy)benzene is Cc1ccc(Cl)c(Oc2ccc(CCl)c(Br)c2)c1.
What is the InChIKey of 2-bromo-1-(chloromethyl)-4-(2-chloro-5-methylphenoxy)benzene?
The InChIKey is ZGQDJQSGCVHMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2O/c1-9-2-5-13(17)14(6-9)18-11-4-3-10(8-16)12(15)7-11/h2-7H,8H2,1H3.
What are the key properties of 2-bromo-1-(chloromethyl)-4-(2-chloro-5-methylphenoxy)benzene?
2-bromo-1-(chloromethyl)-4-(2-chloro-5-methylphenoxy)benzene has a molecular weight of 346.05 g/mol, XLogP of 5.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(chloromethyl)-4-(2-chloro-5-methylphenoxy)benzene is sourced from PubChem (CID 114060625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).