1,3-dibromo-5-phenylmethoxybenzene

C13H10Br2O — CID 14784150

IUPAC1,3-dibromo-5-phenylmethoxybenzene
SMILESBrc1cc(Br)cc(OCc2ccccc2)c1
InChIInChI=1S/C13H10Br2O/c14-11-6-12(15)8-13(7-11)16-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyCROMNVSVLZKBEF-UHFFFAOYSA-N
MW342.03 g/mol
LogP4.79
Rot. Bonds3

About 1,3-dibromo-5-phenylmethoxybenzene

1,3-dibromo-5-phenylmethoxybenzene (PubChem CID 14784150) has the molecular formula C13H10Br2O and a molecular weight of 342.03 g/mol. Its IUPAC name is 1,3-dibromo-5-phenylmethoxybenzene.

Molecular Properties

Compound Name1,3-dibromo-5-phenylmethoxybenzene
PubChem CID14784150
Molecular FormulaC13H10Br2O
Molecular Weight342.03 g/mol
Exact Mass339.91
IUPAC Name1,3-dibromo-5-phenylmethoxybenzene
SMILESBrc1cc(Br)cc(OCc2ccccc2)c1
InChIInChI=1S/C13H10Br2O/c14-11-6-12(15)8-13(7-11)16-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyCROMNVSVLZKBEF-UHFFFAOYSA-N
XLogP4.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.03
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-5-phenylmethoxybenzene?
The IUPAC name of 1,3-dibromo-5-phenylmethoxybenzene (CID 14784150) is 1,3-dibromo-5-phenylmethoxybenzene.
What is the SMILES notation for 1,3-dibromo-5-phenylmethoxybenzene?
The canonical SMILES for 1,3-dibromo-5-phenylmethoxybenzene is Brc1cc(Br)cc(OCc2ccccc2)c1.
What is the InChIKey of 1,3-dibromo-5-phenylmethoxybenzene?
The InChIKey is CROMNVSVLZKBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2O/c14-11-6-12(15)8-13(7-11)16-9-10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 1,3-dibromo-5-phenylmethoxybenzene?
1,3-dibromo-5-phenylmethoxybenzene has a molecular weight of 342.03 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-5-phenylmethoxybenzene is sourced from PubChem (CID 14784150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).