4-[2-(bromomethyl)phenoxy]-1-chloro-2-methylbenzene

C14H12BrClO — CID 107086359

IUPAC4-[2-(bromomethyl)phenoxy]-1-chloro-2-methylbenzene
SMILESCc1cc(Oc2ccccc2CBr)ccc1Cl
InChIInChI=1S/C14H12BrClO/c1-10-8-12(6-7-13(10)16)17-14-5-3-2-4-11(14)9-15/h2-8H,9H2,1H3
InChIKeyOGWBYIFPIBFSJH-UHFFFAOYSA-N
MW311.61 g/mol
LogP5.34
Rot. Bonds3

About 4-[2-(bromomethyl)phenoxy]-1-chloro-2-methylbenzene

4-[2-(bromomethyl)phenoxy]-1-chloro-2-methylbenzene (PubChem CID 107086359) has the molecular formula C14H12BrClO and a molecular weight of 311.61 g/mol. Its IUPAC name is 4-[2-(bromomethyl)phenoxy]-1-chloro-2-methylbenzene.

Molecular Properties

Compound Name4-[2-(bromomethyl)phenoxy]-1-chloro-2-methylbenzene
PubChem CID107086359
Molecular FormulaC14H12BrClO
Molecular Weight311.61 g/mol
Exact Mass309.98
IUPAC Name4-[2-(bromomethyl)phenoxy]-1-chloro-2-methylbenzene
SMILESCc1cc(Oc2ccccc2CBr)ccc1Cl
InChIInChI=1S/C14H12BrClO/c1-10-8-12(6-7-13(10)16)17-14-5-3-2-4-11(14)9-15/h2-8H,9H2,1H3
InChIKeyOGWBYIFPIBFSJH-UHFFFAOYSA-N
XLogP5.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.61
LogP ≤ 55.34
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-[2-(bromomethyl)phenoxy]-1-fluoro-2-methylbenzene
CID 107088974
1-chloro-4-(2-methoxyphenoxy)-2-methylbenzene
CID 163498648
4-(bromomethyl)-2-chloro-1-(4-chloro-3-methylphenoxy)benzene
CID 107086354
1-[2-(4-chloro-3-methylphenoxy)phenyl]ethanamine
CID 43094702
1-(bromomethyl)-2-[2-(bromomethyl)phenoxy]benzene;ethane
CID 91089449
1-(bromomethyl)-4-(2-chloro-4-fluorophenoxy)-2-methylbenzene
CID 107087869
1-[2-(4-chloro-3-methylphenoxy)phenyl]propan-1-amine
CID 112678379
(1R)-1-[2-(4-chloro-3-methylphenoxy)phenyl]propan-1-ol
CID 103960425
1-(bromomethyl)-2-(4-tert-butylphenoxy)benzene
CID 75365477
1-bromo-4-[2-(bromomethyl)-5-chlorophenoxy]-2-methylbenzene
CID 107089078
1-(bromomethyl)-2-(4-iodophenoxy)benzene
CID 107087507
[4-[2-(hydroxymethyl)phenoxy]-2-methylphenyl]methanol
CID 63653809

Frequently Asked Questions

What is the IUPAC name of 4-[2-(bromomethyl)phenoxy]-1-chloro-2-methylbenzene?
The IUPAC name of 4-[2-(bromomethyl)phenoxy]-1-chloro-2-methylbenzene (CID 107086359) is 4-[2-(bromomethyl)phenoxy]-1-chloro-2-methylbenzene.
What is the SMILES notation for 4-[2-(bromomethyl)phenoxy]-1-chloro-2-methylbenzene?
The canonical SMILES for 4-[2-(bromomethyl)phenoxy]-1-chloro-2-methylbenzene is Cc1cc(Oc2ccccc2CBr)ccc1Cl.
What is the InChIKey of 4-[2-(bromomethyl)phenoxy]-1-chloro-2-methylbenzene?
The InChIKey is OGWBYIFPIBFSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClO/c1-10-8-12(6-7-13(10)16)17-14-5-3-2-4-11(14)9-15/h2-8H,9H2,1H3.
What are the key properties of 4-[2-(bromomethyl)phenoxy]-1-chloro-2-methylbenzene?
4-[2-(bromomethyl)phenoxy]-1-chloro-2-methylbenzene has a molecular weight of 311.61 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(bromomethyl)phenoxy]-1-chloro-2-methylbenzene is sourced from PubChem (CID 107086359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).