4-(bromomethyl)-2-chloro-1-(4-chloro-3-methylphenoxy)benzene

C14H11BrCl2O — CID 107086354

IUPAC4-(bromomethyl)-2-chloro-1-(4-chloro-3-methylphenoxy)benzene
SMILESCc1cc(Oc2ccc(CBr)cc2Cl)ccc1Cl
InChIInChI=1S/C14H11BrCl2O/c1-9-6-11(3-4-12(9)16)18-14-5-2-10(8-15)7-13(14)17/h2-7H,8H2,1H3
InChIKeyPTOGNTSEKHKSRJ-UHFFFAOYSA-N
MW346.05 g/mol
LogP5.99
Rot. Bonds3

About 4-(bromomethyl)-2-chloro-1-(4-chloro-3-methylphenoxy)benzene

4-(bromomethyl)-2-chloro-1-(4-chloro-3-methylphenoxy)benzene (PubChem CID 107086354) has the molecular formula C14H11BrCl2O and a molecular weight of 346.05 g/mol. Its IUPAC name is 4-(bromomethyl)-2-chloro-1-(4-chloro-3-methylphenoxy)benzene.

Molecular Properties

Compound Name4-(bromomethyl)-2-chloro-1-(4-chloro-3-methylphenoxy)benzene
PubChem CID107086354
Molecular FormulaC14H11BrCl2O
Molecular Weight346.05 g/mol
Exact Mass343.94
IUPAC Name4-(bromomethyl)-2-chloro-1-(4-chloro-3-methylphenoxy)benzene
SMILESCc1cc(Oc2ccc(CBr)cc2Cl)ccc1Cl
InChIInChI=1S/C14H11BrCl2O/c1-9-6-11(3-4-12(9)16)18-14-5-2-10(8-15)7-13(14)17/h2-7H,8H2,1H3
InChIKeyPTOGNTSEKHKSRJ-UHFFFAOYSA-N
XLogP5.99
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 ≤ 55.99
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

4-(bromomethyl)-1-(4-tert-butylphenoxy)-2-chlorobenzene
CID 107086858
4-(bromomethyl)-2-chloro-1-(4-propan-2-ylphenoxy)benzene
CID 107086695
1-bromo-4-[4-(bromomethyl)-2-chlorophenoxy]-2-fluorobenzene
CID 107088717
4-[2-(bromomethyl)phenoxy]-1-chloro-2-methylbenzene
CID 107086359
1-[4-(bromomethyl)-2-chlorophenoxy]-4-tert-butyl-2-methylbenzene
CID 107087597
3-chloro-4-(4-chloro-3-methylphenoxy)benzaldehyde
CID 81145845
1-(bromomethyl)-4-(2-chloro-4-fluorophenoxy)-2-methylbenzene
CID 107087869
1-[4-(bromomethyl)phenoxy]-2-chloro-4-fluorobenzene
CID 107087882
7-[4-(bromomethyl)-2-chlorophenoxy]quinoline
CID 107314175
1-[4-(4-chloro-3-methylphenoxy)-3-methylphenyl]propan-2-amine
CID 63816442
1-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]propan-2-amine
CID 81166108
1-bromo-4-[4-(bromomethyl)-2-fluorophenoxy]-2-methylbenzene
CID 107089080

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-chloro-1-(4-chloro-3-methylphenoxy)benzene?
The IUPAC name of 4-(bromomethyl)-2-chloro-1-(4-chloro-3-methylphenoxy)benzene (CID 107086354) is 4-(bromomethyl)-2-chloro-1-(4-chloro-3-methylphenoxy)benzene.
What is the SMILES notation for 4-(bromomethyl)-2-chloro-1-(4-chloro-3-methylphenoxy)benzene?
The canonical SMILES for 4-(bromomethyl)-2-chloro-1-(4-chloro-3-methylphenoxy)benzene is Cc1cc(Oc2ccc(CBr)cc2Cl)ccc1Cl.
What is the InChIKey of 4-(bromomethyl)-2-chloro-1-(4-chloro-3-methylphenoxy)benzene?
The InChIKey is PTOGNTSEKHKSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2O/c1-9-6-11(3-4-12(9)16)18-14-5-2-10(8-15)7-13(14)17/h2-7H,8H2,1H3.
What are the key properties of 4-(bromomethyl)-2-chloro-1-(4-chloro-3-methylphenoxy)benzene?
4-(bromomethyl)-2-chloro-1-(4-chloro-3-methylphenoxy)benzene has a molecular weight of 346.05 g/mol, XLogP of 5.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-chloro-1-(4-chloro-3-methylphenoxy)benzene is sourced from PubChem (CID 107086354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).