4-(3-methoxyphenoxy)-1-phenylbutan-1-one

C17H18O3 — CID 43218335

IUPAC4-(3-methoxyphenoxy)-1-phenylbutan-1-one
SMILESCOc1cccc(OCCCC(=O)c2ccccc2)c1
InChIInChI=1S/C17H18O3/c1-19-15-9-5-10-16(13-15)20-12-6-11-17(18)14-7-3-2-4-8-14/h2-5,7-10,13H,6,11-12H2,1H3
InChIKeyXBYGIZFFENXEGU-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.74
Rot. Bonds7

About 4-(3-methoxyphenoxy)-1-phenylbutan-1-one

4-(3-methoxyphenoxy)-1-phenylbutan-1-one (PubChem CID 43218335) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-(3-methoxyphenoxy)-1-phenylbutan-1-one.

Molecular Properties

Compound Name4-(3-methoxyphenoxy)-1-phenylbutan-1-one
PubChem CID43218335
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name4-(3-methoxyphenoxy)-1-phenylbutan-1-one
SMILESCOc1cccc(OCCCC(=O)c2ccccc2)c1
InChIInChI=1S/C17H18O3/c1-19-15-9-5-10-16(13-15)20-12-6-11-17(18)14-7-3-2-4-8-14/h2-5,7-10,13H,6,11-12H2,1H3
InChIKeyXBYGIZFFENXEGU-UHFFFAOYSA-N
XLogP3.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-1-(3-methoxyphenyl)butan-1-one
CID 62620743
2-(3-butoxyphenoxy)-1-phenylethanone
CID 15692245
4-(4-chloro-3-methylphenoxy)-1-phenylbutan-1-one
CID 60642749
4-methoxy-1-phenylbutan-1-one;hydrochloride
CID 172691483
4-fluoro-1-(3-methoxyphenyl)butan-1-one
CID 135043866
3-(3-ethylphenoxy)-1-phenylpropan-1-one
CID 116692020
1-(3-methoxyphenyl)tetradecan-1-one
CID 146007363
3-(3-methoxyphenoxy)-N,N-dimethylpropan-1-amine;oxalic acid
CID 2935713
[2-(3-methoxyphenyl)-2-oxoethyl] 4-oxo-4-phenylbutanoate
CID 4271424
N-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide
CID 113099798
1-(3,5-dimethoxyphenyl)-3-phenylpropane-1,3-dione
CID 91159329
4-ethoxy-1-(3-ethoxyphenyl)butan-1-one
CID 105122439

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenoxy)-1-phenylbutan-1-one?
The IUPAC name of 4-(3-methoxyphenoxy)-1-phenylbutan-1-one (CID 43218335) is 4-(3-methoxyphenoxy)-1-phenylbutan-1-one.
What is the SMILES notation for 4-(3-methoxyphenoxy)-1-phenylbutan-1-one?
The canonical SMILES for 4-(3-methoxyphenoxy)-1-phenylbutan-1-one is COc1cccc(OCCCC(=O)c2ccccc2)c1.
What is the InChIKey of 4-(3-methoxyphenoxy)-1-phenylbutan-1-one?
The InChIKey is XBYGIZFFENXEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-19-15-9-5-10-16(13-15)20-12-6-11-17(18)14-7-3-2-4-8-14/h2-5,7-10,13H,6,11-12H2,1H3.
What are the key properties of 4-(3-methoxyphenoxy)-1-phenylbutan-1-one?
4-(3-methoxyphenoxy)-1-phenylbutan-1-one has a molecular weight of 270.33 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenoxy)-1-phenylbutan-1-one is sourced from PubChem (CID 43218335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).