4-ethoxy-1-(4-propan-2-yloxyphenyl)butan-1-one

C15H22O3 — CID 105097430

IUPAC4-ethoxy-1-(4-propan-2-yloxyphenyl)butan-1-one
SMILESCCOCCCC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H22O3/c1-4-17-11-5-6-15(16)13-7-9-14(10-8-13)18-12(2)3/h7-10,12H,4-6,11H2,1-3H3
InChIKeyLSUMUGMNRXZGRR-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.47
Rot. Bonds8

About 4-ethoxy-1-(4-propan-2-yloxyphenyl)butan-1-one

4-ethoxy-1-(4-propan-2-yloxyphenyl)butan-1-one (PubChem CID 105097430) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-ethoxy-1-(4-propan-2-yloxyphenyl)butan-1-one.

Molecular Properties

Compound Name4-ethoxy-1-(4-propan-2-yloxyphenyl)butan-1-one
PubChem CID105097430
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name4-ethoxy-1-(4-propan-2-yloxyphenyl)butan-1-one
SMILESCCOCCCC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H22O3/c1-4-17-11-5-6-15(16)13-7-9-14(10-8-13)18-12(2)3/h7-10,12H,4-6,11H2,1-3H3
InChIKeyLSUMUGMNRXZGRR-UHFFFAOYSA-N
XLogP3.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-ethoxy-1-(4-propan-2-yloxyphenyl)butan-1-one 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

3-ethoxy-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 105097425
1-(4-propan-2-yloxyphenyl)pentan-1-one
CID 2170743
4-ethoxy-1-(4-ethoxyphenyl)butan-1-one
CID 105093941
4-hydroxy-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 98014339
4-amino-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 82341479
ethyl 7-oxo-7-(4-propan-2-yloxyphenyl)heptanoate
CID 24727573
4-ethoxy-1-(4-ethylphenyl)butan-1-one
CID 105085940
5-amino-4-methyl-1-(4-propan-2-yloxyphenyl)pentan-1-one
CID 116607520
1-(4-propan-2-yloxyphenyl)-4-thiophen-2-ylbutan-1-one
CID 105097435
3-ethoxy-1-(4-propoxyphenyl)propan-1-one
CID 105096969
5-methoxy-1-(4-propan-2-yloxyphenyl)pentane-1,3-dione
CID 43321414
3-amino-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 81463114

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(4-propan-2-yloxyphenyl)butan-1-one?
The IUPAC name of 4-ethoxy-1-(4-propan-2-yloxyphenyl)butan-1-one (CID 105097430) is 4-ethoxy-1-(4-propan-2-yloxyphenyl)butan-1-one.
What is the SMILES notation for 4-ethoxy-1-(4-propan-2-yloxyphenyl)butan-1-one?
The canonical SMILES for 4-ethoxy-1-(4-propan-2-yloxyphenyl)butan-1-one is CCOCCCC(=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of 4-ethoxy-1-(4-propan-2-yloxyphenyl)butan-1-one?
The InChIKey is LSUMUGMNRXZGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-4-17-11-5-6-15(16)13-7-9-14(10-8-13)18-12(2)3/h7-10,12H,4-6,11H2,1-3H3.
What are the key properties of 4-ethoxy-1-(4-propan-2-yloxyphenyl)butan-1-one?
4-ethoxy-1-(4-propan-2-yloxyphenyl)butan-1-one has a molecular weight of 250.34 g/mol, XLogP of 3.47, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(4-propan-2-yloxyphenyl)butan-1-one is sourced from PubChem (CID 105097430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).