1-(bromomethyl)-3,5-dichloro-2-(2-phenylethoxy)benzene

C15H13BrCl2O — CID 43516371

IUPAC1-(bromomethyl)-3,5-dichloro-2-(2-phenylethoxy)benzene
SMILESClc1cc(Cl)c(OCCc2ccccc2)c(CBr)c1
InChIInChI=1S/C15H13BrCl2O/c16-10-12-8-13(17)9-14(18)15(12)19-7-6-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2
InChIKeyUOABHNGSCPDYAV-UHFFFAOYSA-N
MW360.08 g/mol
LogP5.51
Rot. Bonds5

About 1-(bromomethyl)-3,5-dichloro-2-(2-phenylethoxy)benzene

1-(bromomethyl)-3,5-dichloro-2-(2-phenylethoxy)benzene (PubChem CID 43516371) has the molecular formula C15H13BrCl2O and a molecular weight of 360.08 g/mol. Its IUPAC name is 1-(bromomethyl)-3,5-dichloro-2-(2-phenylethoxy)benzene.

Molecular Properties

Compound Name1-(bromomethyl)-3,5-dichloro-2-(2-phenylethoxy)benzene
PubChem CID43516371
Molecular FormulaC15H13BrCl2O
Molecular Weight360.08 g/mol
Exact Mass357.95
IUPAC Name1-(bromomethyl)-3,5-dichloro-2-(2-phenylethoxy)benzene
SMILESClc1cc(Cl)c(OCCc2ccccc2)c(CBr)c1
InChIInChI=1S/C15H13BrCl2O/c16-10-12-8-13(17)9-14(18)15(12)19-7-6-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2
InChIKeyUOABHNGSCPDYAV-UHFFFAOYSA-N
XLogP5.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.08
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-3,5-dichloro-2-(2-phenylethoxy)benzene?
The IUPAC name of 1-(bromomethyl)-3,5-dichloro-2-(2-phenylethoxy)benzene (CID 43516371) is 1-(bromomethyl)-3,5-dichloro-2-(2-phenylethoxy)benzene.
What is the SMILES notation for 1-(bromomethyl)-3,5-dichloro-2-(2-phenylethoxy)benzene?
The canonical SMILES for 1-(bromomethyl)-3,5-dichloro-2-(2-phenylethoxy)benzene is Clc1cc(Cl)c(OCCc2ccccc2)c(CBr)c1.
What is the InChIKey of 1-(bromomethyl)-3,5-dichloro-2-(2-phenylethoxy)benzene?
The InChIKey is UOABHNGSCPDYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2O/c16-10-12-8-13(17)9-14(18)15(12)19-7-6-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2.
What are the key properties of 1-(bromomethyl)-3,5-dichloro-2-(2-phenylethoxy)benzene?
1-(bromomethyl)-3,5-dichloro-2-(2-phenylethoxy)benzene has a molecular weight of 360.08 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-3,5-dichloro-2-(2-phenylethoxy)benzene is sourced from PubChem (CID 43516371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).