1-(4-tert-butylphenyl)-2-propoxyethanone

C15H22O2 — CID 62548710

IUPAC1-(4-tert-butylphenyl)-2-propoxyethanone
SMILESCCCOCC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H22O2/c1-5-10-17-11-14(16)12-6-8-13(9-7-12)15(2,3)4/h6-9H,5,10-11H2,1-4H3
InChIKeyCMVDSVFJODPZQD-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.59
Rot. Bonds5

About 1-(4-tert-butylphenyl)-2-propoxyethanone

1-(4-tert-butylphenyl)-2-propoxyethanone (PubChem CID 62548710) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-propoxyethanone.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-propoxyethanone
PubChem CID62548710
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-(4-tert-butylphenyl)-2-propoxyethanone
SMILESCCCOCC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H22O2/c1-5-10-17-11-14(16)12-6-8-13(9-7-12)15(2,3)4/h6-9H,5,10-11H2,1-4H3
InChIKeyCMVDSVFJODPZQD-UHFFFAOYSA-N
XLogP3.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-tert-butylphenyl)-2-propoxyethanone 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

4-(2-propoxyacetyl)benzoic acid
CID 57076032
1-(4-ethylphenyl)-2-(2-propoxyethoxy)ethanone
CID 63684932
2-butoxy-1-(4-chlorophenyl)ethanone
CID 43801198
1-(4-tert-butylphenyl)dodecan-1-one
CID 146005513
2-heptoxy-1-(4-methylphenyl)ethanone
CID 43800117
1,5-bis(4-tert-butylphenyl)pentane-1,3,5-trione
CID 66932735
methyl 3-(4-tert-butylphenyl)-3-oxopropanoate
CID 2757311
2-butoxy-1-(4-propan-2-ylphenyl)ethanone
CID 43801215
1-(4-ethylphenyl)-2-heptoxyethanone
CID 43800138
2-(3,3-dimethylbutoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 66234093
(4-propoxycarbonylphenyl) 4-tert-butylbenzoate
CID 4941842
1-(4-methoxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanone
CID 112588381

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-propoxyethanone?
The IUPAC name of 1-(4-tert-butylphenyl)-2-propoxyethanone (CID 62548710) is 1-(4-tert-butylphenyl)-2-propoxyethanone.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-propoxyethanone?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-propoxyethanone is CCCOCC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-propoxyethanone?
The InChIKey is CMVDSVFJODPZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-5-10-17-11-14(16)12-6-8-13(9-7-12)15(2,3)4/h6-9H,5,10-11H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-propoxyethanone?
1-(4-tert-butylphenyl)-2-propoxyethanone has a molecular weight of 234.34 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-propoxyethanone is sourced from PubChem (CID 62548710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).