2-(4-ethoxyphenoxy)-1-phenylbutan-1-one

C18H20O3 — CID 43799769

IUPAC2-(4-ethoxyphenoxy)-1-phenylbutan-1-one
SMILESCCOc1ccc(OC(CC)C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H20O3/c1-3-17(18(19)14-8-6-5-7-9-14)21-16-12-10-15(11-13-16)20-4-2/h5-13,17H,3-4H2,1-2H3
InChIKeyDZGCUQRWIUZOHF-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.13
Rot. Bonds7

About 2-(4-ethoxyphenoxy)-1-phenylbutan-1-one

2-(4-ethoxyphenoxy)-1-phenylbutan-1-one (PubChem CID 43799769) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-1-phenylbutan-1-one.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-1-phenylbutan-1-one
PubChem CID43799769
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name2-(4-ethoxyphenoxy)-1-phenylbutan-1-one
SMILESCCOc1ccc(OC(CC)C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H20O3/c1-3-17(18(19)14-8-6-5-7-9-14)21-16-12-10-15(11-13-16)20-4-2/h5-13,17H,3-4H2,1-2H3
InChIKeyDZGCUQRWIUZOHF-UHFFFAOYSA-N
XLogP4.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-oxo-1-phenylbutan-2-yl)oxybenzonitrile
CID 62030456
2-(3,4-dimethylphenoxy)-1-phenylbutan-1-one
CID 43799872
2-(4-nitrophenoxy)-1-phenylbutan-1-one
CID 61031389
2-(4-ethoxyphenoxy)butanamide
CID 62901060
(1-oxo-1-phenylbutan-2-yl) benzoate
CID 102496399
(2R)-3-(4-ethoxyphenyl)-2-phenoxypropanoic acid
CID 100544078
4-bromo-N-[4-(1-oxo-1-phenylbutan-2-yl)oxyphenyl]benzamide
CID 19645092
benzamide;1,4-diethoxybenzene
CID 162120306
2-ethoxy-1-(3-ethoxyphenyl)butan-1-one
CID 116707614
N-(4-ethoxyphenyl)-2-naphthalen-2-yloxybutanamide
CID 53284524
(2R)-N-(4-ethoxyphenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082583
(2S)-2-phenoxy-N-[4-(2-phenoxyethoxy)phenyl]butanamide
CID 9296848

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-1-phenylbutan-1-one?
The IUPAC name of 2-(4-ethoxyphenoxy)-1-phenylbutan-1-one (CID 43799769) is 2-(4-ethoxyphenoxy)-1-phenylbutan-1-one.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-1-phenylbutan-1-one?
The canonical SMILES for 2-(4-ethoxyphenoxy)-1-phenylbutan-1-one is CCOc1ccc(OC(CC)C(=O)c2ccccc2)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-1-phenylbutan-1-one?
The InChIKey is DZGCUQRWIUZOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-3-17(18(19)14-8-6-5-7-9-14)21-16-12-10-15(11-13-16)20-4-2/h5-13,17H,3-4H2,1-2H3.
What are the key properties of 2-(4-ethoxyphenoxy)-1-phenylbutan-1-one?
2-(4-ethoxyphenoxy)-1-phenylbutan-1-one has a molecular weight of 284.36 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)-1-phenylbutan-1-one is sourced from PubChem (CID 43799769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).