1-[4-[(2-bromophenyl)methoxy]-2-ethylphenyl]ethanone

C17H17BrO2 — CID 91864376

IUPAC1-[4-[(2-bromophenyl)methoxy]-2-ethylphenyl]ethanone
SMILESCCc1cc(OCc2ccccc2Br)ccc1C(C)=O
InChIInChI=1S/C17H17BrO2/c1-3-13-10-15(8-9-16(13)12(2)19)20-11-14-6-4-5-7-17(14)18/h4-10H,3,11H2,1-2H3
InChIKeyPLJFXHUIRVHNLU-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.79
Rot. Bonds5

About 1-[4-[(2-bromophenyl)methoxy]-2-ethylphenyl]ethanone

1-[4-[(2-bromophenyl)methoxy]-2-ethylphenyl]ethanone (PubChem CID 91864376) has the molecular formula C17H17BrO2 and a molecular weight of 333.23 g/mol. Its IUPAC name is 1-[4-[(2-bromophenyl)methoxy]-2-ethylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(2-bromophenyl)methoxy]-2-ethylphenyl]ethanone
PubChem CID91864376
Molecular FormulaC17H17BrO2
Molecular Weight333.23 g/mol
Exact Mass332.04
IUPAC Name1-[4-[(2-bromophenyl)methoxy]-2-ethylphenyl]ethanone
SMILESCCc1cc(OCc2ccccc2Br)ccc1C(C)=O
InChIInChI=1S/C17H17BrO2/c1-3-13-10-15(8-9-16(13)12(2)19)20-11-14-6-4-5-7-17(14)18/h4-10H,3,11H2,1-2H3
InChIKeyPLJFXHUIRVHNLU-UHFFFAOYSA-N
XLogP4.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(4-bromophenyl)methoxy]-2-ethylphenyl]ethanone
CID 91864406
1-[4-[(2-ethylphenyl)methoxy]-2-fluorophenyl]ethanone
CID 91863374
2-[(4-acetyl-3-bromophenoxy)methyl]benzonitrile
CID 91863521
1-(2-bromo-4-phenylmethoxyphenyl)ethanone
CID 70433955
1-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]ethanone
CID 91863363
(4-acetyl-3-ethylphenyl) hypofluorite
CID 153392017
methyl 4-[(4-acetyl-3-ethylphenoxy)methyl]benzoate
CID 91864413
1-[2-ethyl-4-[[4-[(E)-2-hydroxyethenyl]phenyl]methoxy]phenyl]ethanone
CID 155703815
4-[(2-bromophenyl)methoxy]phenol
CID 43143380
1-[4-[(2-chlorophenyl)methoxy]-2-methylphenyl]ethanone
CID 91864298
5-[(2-bromophenyl)methoxy]-2,3-dihydro-1H-indene
CID 60644006
2-[2-[(4-acetyl-3-methoxyphenoxy)methyl]phenyl]acetic acid
CID 91863926

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-bromophenyl)methoxy]-2-ethylphenyl]ethanone?
The IUPAC name of 1-[4-[(2-bromophenyl)methoxy]-2-ethylphenyl]ethanone (CID 91864376) is 1-[4-[(2-bromophenyl)methoxy]-2-ethylphenyl]ethanone.
What is the SMILES notation for 1-[4-[(2-bromophenyl)methoxy]-2-ethylphenyl]ethanone?
The canonical SMILES for 1-[4-[(2-bromophenyl)methoxy]-2-ethylphenyl]ethanone is CCc1cc(OCc2ccccc2Br)ccc1C(C)=O.
What is the InChIKey of 1-[4-[(2-bromophenyl)methoxy]-2-ethylphenyl]ethanone?
The InChIKey is PLJFXHUIRVHNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO2/c1-3-13-10-15(8-9-16(13)12(2)19)20-11-14-6-4-5-7-17(14)18/h4-10H,3,11H2,1-2H3.
What are the key properties of 1-[4-[(2-bromophenyl)methoxy]-2-ethylphenyl]ethanone?
1-[4-[(2-bromophenyl)methoxy]-2-ethylphenyl]ethanone has a molecular weight of 333.23 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-bromophenyl)methoxy]-2-ethylphenyl]ethanone is sourced from PubChem (CID 91864376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).