4-bromo-1-chloro-2-phenylmethoxybenzene

C13H10BrClO — CID 53217017

IUPAC4-bromo-1-chloro-2-phenylmethoxybenzene
SMILESClc1ccc(Br)cc1OCc1ccccc1
InChIInChI=1S/C13H10BrClO/c14-11-6-7-12(15)13(8-11)16-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyCJNSNMPZMZMQJA-UHFFFAOYSA-N
MW297.58 g/mol
LogP4.68
Rot. Bonds3

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

4-bromo-1-chloro-2-phenylmethoxybenzene (PubChem CID 53217017) has the molecular formula C13H10BrClO and a molecular weight of 297.58 g/mol. Its IUPAC name is 4-bromo-1-chloro-2-phenylmethoxybenzene.

Molecular Properties

Compound Name4-bromo-1-chloro-2-phenylmethoxybenzene
PubChem CID53217017
Molecular FormulaC13H10BrClO
Molecular Weight297.58 g/mol
Exact Mass295.96
IUPAC Name4-bromo-1-chloro-2-phenylmethoxybenzene
SMILESClc1ccc(Br)cc1OCc1ccccc1
InChIInChI=1S/C13H10BrClO/c14-11-6-7-12(15)13(8-11)16-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyCJNSNMPZMZMQJA-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 4-bromo-1-chloro-2-phenylmethoxybenzene?
The IUPAC name of 4-bromo-1-chloro-2-phenylmethoxybenzene (CID 53217017) is 4-bromo-1-chloro-2-phenylmethoxybenzene.
What is the SMILES notation for 4-bromo-1-chloro-2-phenylmethoxybenzene?
The canonical SMILES for 4-bromo-1-chloro-2-phenylmethoxybenzene is Clc1ccc(Br)cc1OCc1ccccc1.
What is the InChIKey of 4-bromo-1-chloro-2-phenylmethoxybenzene?
The InChIKey is CJNSNMPZMZMQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClO/c14-11-6-7-12(15)13(8-11)16-9-10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 4-bromo-1-chloro-2-phenylmethoxybenzene?
4-bromo-1-chloro-2-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 4-bromo-1-chloro-2-phenylmethoxybenzene is sourced from PubChem (CID 53217017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).