2-(bromomethyl)-1-chloro-4-phenoxybenzene

C13H10BrClO — CID 23313954

IUPAC2-(bromomethyl)-1-chloro-4-phenoxybenzene
SMILESClc1ccc(Oc2ccccc2)cc1CBr
InChIInChI=1S/C13H10BrClO/c14-9-10-8-12(6-7-13(10)15)16-11-4-2-1-3-5-11/h1-8H,9H2
InChIKeyGJPPQFDFGJJAIH-UHFFFAOYSA-N
MW297.58 g/mol
LogP5.03
Rot. Bonds3

About 2-(bromomethyl)-1-chloro-4-phenoxybenzene

2-(bromomethyl)-1-chloro-4-phenoxybenzene (PubChem CID 23313954) has the molecular formula C13H10BrClO and a molecular weight of 297.58 g/mol. Its IUPAC name is 2-(bromomethyl)-1-chloro-4-phenoxybenzene.

Molecular Properties

Compound Name2-(bromomethyl)-1-chloro-4-phenoxybenzene
PubChem CID23313954
Molecular FormulaC13H10BrClO
Molecular Weight297.58 g/mol
Exact Mass295.96
IUPAC Name2-(bromomethyl)-1-chloro-4-phenoxybenzene
SMILESClc1ccc(Oc2ccccc2)cc1CBr
InChIInChI=1S/C13H10BrClO/c14-9-10-8-12(6-7-13(10)15)16-11-4-2-1-3-5-11/h1-8H,9H2
InChIKeyGJPPQFDFGJJAIH-UHFFFAOYSA-N
XLogP5.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.58
LogP ≤ 55.03
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-chloro-2-methylbenzene
CID 107086359
1,2-dichloro-4-phenoxybenzene;propanal
CID 174651599
oxophosphanium;phenoxybenzene
CID 161329594
2-chloro-5-phenoxybenzaldehyde
CID 131420183
2-(bromomethyl)-1-chloro-4-(2-ethylbutoxy)benzene
CID 86690419
3-(4-chloro-3-ethylphenoxy)aniline
CID 11021230
1-bromo-4-phenoxy-2-(phenoxymethyl)benzene
CID 139707476
1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627
1,2-bis(2,3-dichloropropyl)-4-phenoxybenzene
CID 170552338
chlorobenzene;phenoxybenzene
CID 66911253
ethane;phenoxybenzene;propane
CID 90923491
2-bromo-1-(bromomethyl)-4-(3-chloro-4-fluorophenoxy)benzene
CID 114060640

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1-chloro-4-phenoxybenzene?
The IUPAC name of 2-(bromomethyl)-1-chloro-4-phenoxybenzene (CID 23313954) is 2-(bromomethyl)-1-chloro-4-phenoxybenzene.
What is the SMILES notation for 2-(bromomethyl)-1-chloro-4-phenoxybenzene?
The canonical SMILES for 2-(bromomethyl)-1-chloro-4-phenoxybenzene is Clc1ccc(Oc2ccccc2)cc1CBr.
What is the InChIKey of 2-(bromomethyl)-1-chloro-4-phenoxybenzene?
The InChIKey is GJPPQFDFGJJAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClO/c14-9-10-8-12(6-7-13(10)15)16-11-4-2-1-3-5-11/h1-8H,9H2.
What are the key properties of 2-(bromomethyl)-1-chloro-4-phenoxybenzene?
2-(bromomethyl)-1-chloro-4-phenoxybenzene has a molecular weight of 297.58 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1-chloro-4-phenoxybenzene is sourced from PubChem (CID 23313954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).