2-(3-butoxyphenoxy)-1-phenylethanone

C18H20O3 — CID 15692245

IUPAC2-(3-butoxyphenoxy)-1-phenylethanone
SMILESCCCCOc1cccc(OCC(=O)c2ccccc2)c1
InChIInChI=1S/C18H20O3/c1-2-3-12-20-16-10-7-11-17(13-16)21-14-18(19)15-8-5-4-6-9-15/h4-11,13H,2-3,12,14H2,1H3
InChIKeyJSYUMNCELBRGBL-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.13
Rot. Bonds8

About 2-(3-butoxyphenoxy)-1-phenylethanone

2-(3-butoxyphenoxy)-1-phenylethanone (PubChem CID 15692245) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(3-butoxyphenoxy)-1-phenylethanone.

Molecular Properties

Compound Name2-(3-butoxyphenoxy)-1-phenylethanone
PubChem CID15692245
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name2-(3-butoxyphenoxy)-1-phenylethanone
SMILESCCCCOc1cccc(OCC(=O)c2ccccc2)c1
InChIInChI=1S/C18H20O3/c1-2-3-12-20-16-10-7-11-17(13-16)21-14-18(19)15-8-5-4-6-9-15/h4-11,13H,2-3,12,14H2,1H3
InChIKeyJSYUMNCELBRGBL-UHFFFAOYSA-N
XLogP4.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
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

Computed Properties (RDKit)

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

Analyze 2-(3-butoxyphenoxy)-1-phenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-phenacyloxyphenoxy)-1-phenylethanone
CID 962120
(4-propanoylphenyl) 2-(3-pentoxyphenoxy)acetate
CID 4733287
2-bromo-1-(3-butoxyphenyl)ethanone
CID 22121403
4-(3-methoxyphenoxy)-1-phenylbutan-1-one
CID 43218335
2-[3-(dimethylamino)phenoxy]-1-phenylethanone
CID 60773053
acetic acid;butoxybenzene
CID 162338086
1,2-bis(3-hexoxyphenyl)ethane-1,2-dione
CID 71777687
2-(2-butoxyethoxy)-1-phenylethanone
CID 43800199
2-(3-pentoxyphenoxy)-N-phenylacetamide
CID 4733221
3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide
CID 54781128
(Z)-3-(3-butoxyphenyl)-2-phenylprop-2-enoic acid
CID 22682893
3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958264

Frequently Asked Questions

What is the IUPAC name of 2-(3-butoxyphenoxy)-1-phenylethanone?
The IUPAC name of 2-(3-butoxyphenoxy)-1-phenylethanone (CID 15692245) is 2-(3-butoxyphenoxy)-1-phenylethanone.
What is the SMILES notation for 2-(3-butoxyphenoxy)-1-phenylethanone?
The canonical SMILES for 2-(3-butoxyphenoxy)-1-phenylethanone is CCCCOc1cccc(OCC(=O)c2ccccc2)c1.
What is the InChIKey of 2-(3-butoxyphenoxy)-1-phenylethanone?
The InChIKey is JSYUMNCELBRGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-2-3-12-20-16-10-7-11-17(13-16)21-14-18(19)15-8-5-4-6-9-15/h4-11,13H,2-3,12,14H2,1H3.
What are the key properties of 2-(3-butoxyphenoxy)-1-phenylethanone?
2-(3-butoxyphenoxy)-1-phenylethanone has a molecular weight of 284.36 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butoxyphenoxy)-1-phenylethanone is sourced from PubChem (CID 15692245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).