4-bromo-2-methoxy-1-phenylmethoxybenzene

C14H13BrO2 — CID 3613128

IUPAC4-bromo-2-methoxy-1-phenylmethoxybenzene
SMILESCOc1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C14H13BrO2/c1-16-14-9-12(15)7-8-13(14)17-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyAEGJXXCGTFMRGY-UHFFFAOYSA-N
MW293.16 g/mol
LogP4.04
Rot. Bonds4

About 4-bromo-2-methoxy-1-phenylmethoxybenzene

4-bromo-2-methoxy-1-phenylmethoxybenzene (PubChem CID 3613128) has the molecular formula C14H13BrO2 and a molecular weight of 293.16 g/mol. Its IUPAC name is 4-bromo-2-methoxy-1-phenylmethoxybenzene.

Molecular Properties

Compound Name4-bromo-2-methoxy-1-phenylmethoxybenzene
PubChem CID3613128
Molecular FormulaC14H13BrO2
Molecular Weight293.16 g/mol
Exact Mass292.01
IUPAC Name4-bromo-2-methoxy-1-phenylmethoxybenzene
SMILESCOc1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C14H13BrO2/c1-16-14-9-12(15)7-8-13(14)17-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyAEGJXXCGTFMRGY-UHFFFAOYSA-N
XLogP4.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-1-phenylmethoxybenzene?
The IUPAC name of 4-bromo-2-methoxy-1-phenylmethoxybenzene (CID 3613128) is 4-bromo-2-methoxy-1-phenylmethoxybenzene.
What is the SMILES notation for 4-bromo-2-methoxy-1-phenylmethoxybenzene?
The canonical SMILES for 4-bromo-2-methoxy-1-phenylmethoxybenzene is COc1cc(Br)ccc1OCc1ccccc1.
What is the InChIKey of 4-bromo-2-methoxy-1-phenylmethoxybenzene?
The InChIKey is AEGJXXCGTFMRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO2/c1-16-14-9-12(15)7-8-13(14)17-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3.
What are the key properties of 4-bromo-2-methoxy-1-phenylmethoxybenzene?
4-bromo-2-methoxy-1-phenylmethoxybenzene has a molecular weight of 293.16 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-1-phenylmethoxybenzene is sourced from PubChem (CID 3613128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).