1-[4-[(4-bromophenyl)methoxy]phenyl]ethanone

C15H13BrO2 — CID 2195073

IUPAC1-[4-[(4-bromophenyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2ccc(Br)cc2)cc1
InChIInChI=1S/C15H13BrO2/c1-11(17)13-4-8-15(9-5-13)18-10-12-2-6-14(16)7-3-12/h2-9H,10H2,1H3
InChIKeyUNFAYODHYINMBE-UHFFFAOYSA-N
MW305.17 g/mol
LogP4.23
Rot. Bonds4

About 1-[4-[(4-bromophenyl)methoxy]phenyl]ethanone

1-[4-[(4-bromophenyl)methoxy]phenyl]ethanone (PubChem CID 2195073) has the molecular formula C15H13BrO2 and a molecular weight of 305.17 g/mol. Its IUPAC name is 1-[4-[(4-bromophenyl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-bromophenyl)methoxy]phenyl]ethanone
PubChem CID2195073
Molecular FormulaC15H13BrO2
Molecular Weight305.17 g/mol
Exact Mass304.01
IUPAC Name1-[4-[(4-bromophenyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2ccc(Br)cc2)cc1
InChIInChI=1S/C15H13BrO2/c1-11(17)13-4-8-15(9-5-13)18-10-12-2-6-14(16)7-3-12/h2-9H,10H2,1H3
InChIKeyUNFAYODHYINMBE-UHFFFAOYSA-N
XLogP4.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-bromophenyl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[4-[(4-bromophenyl)methoxy]phenyl]ethanone (CID 2195073) is 1-[4-[(4-bromophenyl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(4-bromophenyl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[(4-bromophenyl)methoxy]phenyl]ethanone is CC(=O)c1ccc(OCc2ccc(Br)cc2)cc1.
What is the InChIKey of 1-[4-[(4-bromophenyl)methoxy]phenyl]ethanone?
The InChIKey is UNFAYODHYINMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO2/c1-11(17)13-4-8-15(9-5-13)18-10-12-2-6-14(16)7-3-12/h2-9H,10H2,1H3.
What are the key properties of 1-[4-[(4-bromophenyl)methoxy]phenyl]ethanone?
1-[4-[(4-bromophenyl)methoxy]phenyl]ethanone has a molecular weight of 305.17 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-bromophenyl)methoxy]phenyl]ethanone is sourced from PubChem (CID 2195073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).