2-butan-2-yloxy-1-(4-ethylphenyl)ethanone

C14H20O2 — CID 60904693

IUPAC2-butan-2-yloxy-1-(4-ethylphenyl)ethanone
SMILESCCc1ccc(C(=O)COC(C)CC)cc1
InChIInChI=1S/C14H20O2/c1-4-11(3)16-10-14(15)13-8-6-12(5-2)7-9-13/h6-9,11H,4-5,10H2,1-3H3
InChIKeyVNHJLLOVIRDIBJ-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.25
Rot. Bonds6

About 2-butan-2-yloxy-1-(4-ethylphenyl)ethanone

2-butan-2-yloxy-1-(4-ethylphenyl)ethanone (PubChem CID 60904693) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-butan-2-yloxy-1-(4-ethylphenyl)ethanone.

Molecular Properties

Compound Name2-butan-2-yloxy-1-(4-ethylphenyl)ethanone
PubChem CID60904693
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-butan-2-yloxy-1-(4-ethylphenyl)ethanone
SMILESCCc1ccc(C(=O)COC(C)CC)cc1
InChIInChI=1S/C14H20O2/c1-4-11(3)16-10-14(15)13-8-6-12(5-2)7-9-13/h6-9,11H,4-5,10H2,1-3H3
InChIKeyVNHJLLOVIRDIBJ-UHFFFAOYSA-N
XLogP3.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-butan-2-yloxy-1-(4-ethylphenyl)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

2-butan-2-yloxy-1-(4-fluorophenyl)ethanone
CID 60902739
2-butan-2-yloxy-1-(4-chlorophenyl)ethanone
CID 60902738
2-butan-2-yloxy-1-(3,4-difluorophenyl)ethanone
CID 60904694
2-ethoxy-1-(4-ethylphenyl)propan-1-one
CID 43799619
1-[4-(aminomethyl)phenyl]-2-propan-2-yloxyethanone
CID 116548190
1-(4-ethylphenyl)-2-(2-propoxyethoxy)ethanone
CID 63684932
[2-(4-ethylphenyl)-2-oxoethyl] 4-methylbenzoate
CID 902784
propan-2-yl 4-ethylbenzoate
CID 583760
[2-(4-bromophenyl)-2-oxoethyl] 4-ethylbenzoate
CID 874966
2-amino-1-(4-ethylphenyl)ethanone
CID 19427259
1-(4-ethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone
CID 43800999
1-(4-ethylphenyl)-2,2-dipropoxyethanone
CID 14761625

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxy-1-(4-ethylphenyl)ethanone?
The IUPAC name of 2-butan-2-yloxy-1-(4-ethylphenyl)ethanone (CID 60904693) is 2-butan-2-yloxy-1-(4-ethylphenyl)ethanone.
What is the SMILES notation for 2-butan-2-yloxy-1-(4-ethylphenyl)ethanone?
The canonical SMILES for 2-butan-2-yloxy-1-(4-ethylphenyl)ethanone is CCc1ccc(C(=O)COC(C)CC)cc1.
What is the InChIKey of 2-butan-2-yloxy-1-(4-ethylphenyl)ethanone?
The InChIKey is VNHJLLOVIRDIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-4-11(3)16-10-14(15)13-8-6-12(5-2)7-9-13/h6-9,11H,4-5,10H2,1-3H3.
What are the key properties of 2-butan-2-yloxy-1-(4-ethylphenyl)ethanone?
2-butan-2-yloxy-1-(4-ethylphenyl)ethanone has a molecular weight of 220.31 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxy-1-(4-ethylphenyl)ethanone is sourced from PubChem (CID 60904693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).