2-bromo-4-chloro-1-phenylmethoxybenzene

C13H10BrClO — CID 11551125

IUPAC2-bromo-4-chloro-1-phenylmethoxybenzene
SMILESClc1ccc(OCc2ccccc2)c(Br)c1
InChIInChI=1S/C13H10BrClO/c14-12-8-11(15)6-7-13(12)16-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyMUPMHWOWVDUINO-UHFFFAOYSA-N
MW297.58 g/mol
LogP4.68
Rot. Bonds3

About 2-bromo-4-chloro-1-phenylmethoxybenzene

2-bromo-4-chloro-1-phenylmethoxybenzene (PubChem CID 11551125) has the molecular formula C13H10BrClO and a molecular weight of 297.58 g/mol. Its IUPAC name is 2-bromo-4-chloro-1-phenylmethoxybenzene.

Molecular Properties

Compound Name2-bromo-4-chloro-1-phenylmethoxybenzene
PubChem CID11551125
Molecular FormulaC13H10BrClO
Molecular Weight297.58 g/mol
Exact Mass295.96
IUPAC Name2-bromo-4-chloro-1-phenylmethoxybenzene
SMILESClc1ccc(OCc2ccccc2)c(Br)c1
InChIInChI=1S/C13H10BrClO/c14-12-8-11(15)6-7-13(12)16-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyMUPMHWOWVDUINO-UHFFFAOYSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.58
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-1-phenylmethoxybenzene?
The IUPAC name of 2-bromo-4-chloro-1-phenylmethoxybenzene (CID 11551125) is 2-bromo-4-chloro-1-phenylmethoxybenzene.
What is the SMILES notation for 2-bromo-4-chloro-1-phenylmethoxybenzene?
The canonical SMILES for 2-bromo-4-chloro-1-phenylmethoxybenzene is Clc1ccc(OCc2ccccc2)c(Br)c1.
What is the InChIKey of 2-bromo-4-chloro-1-phenylmethoxybenzene?
The InChIKey is MUPMHWOWVDUINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClO/c14-12-8-11(15)6-7-13(12)16-9-10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 2-bromo-4-chloro-1-phenylmethoxybenzene?
2-bromo-4-chloro-1-phenylmethoxybenzene has a molecular weight of 297.58 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-1-phenylmethoxybenzene is sourced from PubChem (CID 11551125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).