1-[4-(2-propan-2-yloxyphenoxy)phenyl]ethanone

C17H18O3 — CID 155743488

IUPAC1-[4-(2-propan-2-yloxyphenoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccccc2OC(C)C)cc1
InChIInChI=1S/C17H18O3/c1-12(2)19-16-6-4-5-7-17(16)20-15-10-8-14(9-11-15)13(3)18/h4-12H,1-3H3
InChIKeyDRXYKWIELYVKSR-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.47
Rot. Bonds5

About 1-[4-(2-propan-2-yloxyphenoxy)phenyl]ethanone

1-[4-(2-propan-2-yloxyphenoxy)phenyl]ethanone (PubChem CID 155743488) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[4-(2-propan-2-yloxyphenoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2-propan-2-yloxyphenoxy)phenyl]ethanone
PubChem CID155743488
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name1-[4-(2-propan-2-yloxyphenoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccccc2OC(C)C)cc1
InChIInChI=1S/C17H18O3/c1-12(2)19-16-6-4-5-7-17(16)20-15-10-8-14(9-11-15)13(3)18/h4-12H,1-3H3
InChIKeyDRXYKWIELYVKSR-UHFFFAOYSA-N
XLogP4.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(2-propan-2-yloxyphenoxy)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-[4-[2-[(Z)-prop-1-enyl]phenoxy]phenyl]ethanone
CID 126685866
4-phenoxy-3-propan-2-yloxybenzamide
CID 174415325
1-[4-(4-propan-2-ylphenoxy)phenyl]ethanone
CID 28524219
3-[4-(2-propan-2-yloxyphenoxy)phenyl]phenol
CID 67275456
[4-[2-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 175364335
bis[4-(2-phenoxyphenoxy)phenyl]methanone
CID 19849453
N-(4-acetylphenyl)-2-phenoxybenzamide
CID 2476949
1-[4-(1-chloroethoxy)phenyl]ethanone
CID 21282318
1-[2-(4-fluorophenoxy)phenyl]ethanone
CID 10633209
1-(2-phenoxyphenoxy)ethylcarbamic acid
CID 19775876
4-(4-acetylphenoxy)benzoic acid
CID 60723234
1-(4-acetylphenyl)ethanone;methane
CID 159515104

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-propan-2-yloxyphenoxy)phenyl]ethanone?
The IUPAC name of 1-[4-(2-propan-2-yloxyphenoxy)phenyl]ethanone (CID 155743488) is 1-[4-(2-propan-2-yloxyphenoxy)phenyl]ethanone.
What is the SMILES notation for 1-[4-(2-propan-2-yloxyphenoxy)phenyl]ethanone?
The canonical SMILES for 1-[4-(2-propan-2-yloxyphenoxy)phenyl]ethanone is CC(=O)c1ccc(Oc2ccccc2OC(C)C)cc1.
What is the InChIKey of 1-[4-(2-propan-2-yloxyphenoxy)phenyl]ethanone?
The InChIKey is DRXYKWIELYVKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-12(2)19-16-6-4-5-7-17(16)20-15-10-8-14(9-11-15)13(3)18/h4-12H,1-3H3.
What are the key properties of 1-[4-(2-propan-2-yloxyphenoxy)phenyl]ethanone?
1-[4-(2-propan-2-yloxyphenoxy)phenyl]ethanone has a molecular weight of 270.33 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-propan-2-yloxyphenoxy)phenyl]ethanone is sourced from PubChem (CID 155743488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).