1-[3-butoxy-5-(2-phenylethyl)phenyl]ethanone

C20H24O2 — CID 122643065

IUPAC1-[3-butoxy-5-(2-phenylethyl)phenyl]ethanone
SMILESCCCCOc1cc(CCc2ccccc2)cc(C(C)=O)c1
InChIInChI=1S/C20H24O2/c1-3-4-12-22-20-14-18(13-19(15-20)16(2)21)11-10-17-8-6-5-7-9-17/h5-9,13-15H,3-4,10-12H2,1-2H3
InChIKeyYLSXFUVVLYKEGX-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.85
Rot. Bonds8

About 1-[3-butoxy-5-(2-phenylethyl)phenyl]ethanone

1-[3-butoxy-5-(2-phenylethyl)phenyl]ethanone (PubChem CID 122643065) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[3-butoxy-5-(2-phenylethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-butoxy-5-(2-phenylethyl)phenyl]ethanone
PubChem CID122643065
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name1-[3-butoxy-5-(2-phenylethyl)phenyl]ethanone
SMILESCCCCOc1cc(CCc2ccccc2)cc(C(C)=O)c1
InChIInChI=1S/C20H24O2/c1-3-4-12-22-20-14-18(13-19(15-20)16(2)21)11-10-17-8-6-5-7-9-17/h5-9,13-15H,3-4,10-12H2,1-2H3
InChIKeyYLSXFUVVLYKEGX-UHFFFAOYSA-N
XLogP4.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[3-butoxy-5-(2-phenylethyl)phenyl]ethanone 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

1-[3-(3-phenylpropoxy)phenyl]ethanone
CID 21422440
1-[3-(4-phenylbutoxy)phenyl]ethanone
CID 114333666
1-[3,5-di(pentadecoxy)phenyl]ethanone
CID 70379796
N-[2-(3,5-dibutoxyphenyl)ethyl]-2-phenylethanamine
CID 121299623
acetic acid;butoxybenzene
CID 162338086
3,5-bis(3-phenylpropoxy)benzoic acid
CID 18951534
1-(3-henicosoxyphenyl)ethanone
CID 23127401
1-(3-methyl-5-phenylmethoxyphenyl)ethanone
CID 67988335
3-(4-butylphenoxy)-1-phenylpropan-1-one
CID 116692186
dimethyl 5-(6-phenylhexoxy)benzene-1,3-dicarboxylate
CID 19930284
4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17066999
2-phenylethyl 2-(3-acetylphenoxy)acetate
CID 82311984

Frequently Asked Questions

What is the IUPAC name of 1-[3-butoxy-5-(2-phenylethyl)phenyl]ethanone?
The IUPAC name of 1-[3-butoxy-5-(2-phenylethyl)phenyl]ethanone (CID 122643065) is 1-[3-butoxy-5-(2-phenylethyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-butoxy-5-(2-phenylethyl)phenyl]ethanone?
The canonical SMILES for 1-[3-butoxy-5-(2-phenylethyl)phenyl]ethanone is CCCCOc1cc(CCc2ccccc2)cc(C(C)=O)c1.
What is the InChIKey of 1-[3-butoxy-5-(2-phenylethyl)phenyl]ethanone?
The InChIKey is YLSXFUVVLYKEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2/c1-3-4-12-22-20-14-18(13-19(15-20)16(2)21)11-10-17-8-6-5-7-9-17/h5-9,13-15H,3-4,10-12H2,1-2H3.
What are the key properties of 1-[3-butoxy-5-(2-phenylethyl)phenyl]ethanone?
1-[3-butoxy-5-(2-phenylethyl)phenyl]ethanone has a molecular weight of 296.41 g/mol, XLogP of 4.85, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-butoxy-5-(2-phenylethyl)phenyl]ethanone is sourced from PubChem (CID 122643065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).