1-(4-ethyl-2-phenylmethoxyphenyl)ethanone

C17H18O2 — CID 122531292

IUPAC1-(4-ethyl-2-phenylmethoxyphenyl)ethanone
SMILESCCc1ccc(C(C)=O)c(OCc2ccccc2)c1
InChIInChI=1S/C17H18O2/c1-3-14-9-10-16(13(2)18)17(11-14)19-12-15-7-5-4-6-8-15/h4-11H,3,12H2,1-2H3
InChIKeyAEGJVTYVLMHGDA-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.03
Rot. Bonds5

About 1-(4-ethyl-2-phenylmethoxyphenyl)ethanone

1-(4-ethyl-2-phenylmethoxyphenyl)ethanone (PubChem CID 122531292) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(4-ethyl-2-phenylmethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-ethyl-2-phenylmethoxyphenyl)ethanone
PubChem CID122531292
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name1-(4-ethyl-2-phenylmethoxyphenyl)ethanone
SMILESCCc1ccc(C(C)=O)c(OCc2ccccc2)c1
InChIInChI=1S/C17H18O2/c1-3-14-9-10-16(13(2)18)17(11-14)19-12-15-7-5-4-6-8-15/h4-11H,3,12H2,1-2H3
InChIKeyAEGJVTYVLMHGDA-UHFFFAOYSA-N
XLogP4.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-phenylmethoxy-4-(phenylmethoxymethyl)phenyl]ethanone
CID 147786681
(2-acetyl-5-phenylmethoxyphenyl) benzoate
CID 4189871
1-[4-(2-chlorophenyl)-2-phenylmethoxyphenyl]ethanone
CID 171037801
N-(3-ethylphenyl)-2,4-bis(phenylmethoxy)benzamide
CID 69249899
methyl 2-[[4-[(2-acetylphenoxy)methyl]phenyl]methoxy]benzoate
CID 59575964
1-[2,4-bis[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 11280801
1-[5-tert-butyl-2,4-bis(phenylmethoxy)phenyl]ethanone
CID 24773453
ethyl 6-acetyl-2-methyl-3-phenylmethoxybenzoate
CID 91864126
1-[2-[(4-ethylphenyl)methoxy]-5-fluorophenyl]ethanone
CID 78992368
1-(2-bromo-4-phenylmethoxyphenyl)ethanone
CID 70433955
4-ethoxycarbonyl-2-phenylmethoxybenzoic acid
CID 175330974
methyl 3-acetyl-4-phenylmethoxybenzoate
CID 22101033

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-2-phenylmethoxyphenyl)ethanone?
The IUPAC name of 1-(4-ethyl-2-phenylmethoxyphenyl)ethanone (CID 122531292) is 1-(4-ethyl-2-phenylmethoxyphenyl)ethanone.
What is the SMILES notation for 1-(4-ethyl-2-phenylmethoxyphenyl)ethanone?
The canonical SMILES for 1-(4-ethyl-2-phenylmethoxyphenyl)ethanone is CCc1ccc(C(C)=O)c(OCc2ccccc2)c1.
What is the InChIKey of 1-(4-ethyl-2-phenylmethoxyphenyl)ethanone?
The InChIKey is AEGJVTYVLMHGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-3-14-9-10-16(13(2)18)17(11-14)19-12-15-7-5-4-6-8-15/h4-11H,3,12H2,1-2H3.
What are the key properties of 1-(4-ethyl-2-phenylmethoxyphenyl)ethanone?
1-(4-ethyl-2-phenylmethoxyphenyl)ethanone has a molecular weight of 254.33 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-2-phenylmethoxyphenyl)ethanone is sourced from PubChem (CID 122531292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).