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

C17H18O2 — CID 28524219

IUPAC1-[4-(4-propan-2-ylphenoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C17H18O2/c1-12(2)14-4-8-16(9-5-14)19-17-10-6-15(7-11-17)13(3)18/h4-12H,1-3H3
InChIKeyAIYPFUZUKLFFRO-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.80
Rot. Bonds4

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

1-[4-(4-propan-2-ylphenoxy)phenyl]ethanone (PubChem CID 28524219) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[4-(4-propan-2-ylphenoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(4-propan-2-ylphenoxy)phenyl]ethanone
PubChem CID28524219
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name1-[4-(4-propan-2-ylphenoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C17H18O2/c1-12(2)14-4-8-16(9-5-14)19-17-10-6-15(7-11-17)13(3)18/h4-12H,1-3H3
InChIKeyAIYPFUZUKLFFRO-UHFFFAOYSA-N
XLogP4.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-(4-propan-2-ylphenyl)ethanone
CID 143075063
4-(4-propan-2-ylphenoxy)benzamide
CID 142414866
1-[3-chloro-4-(4-propan-2-ylphenoxy)phenyl]ethanone
CID 63533562
4-(4-acetylphenoxy)benzoic acid
CID 60723234
(4-acetylphenyl) (E)-3-(4-propan-2-ylphenyl)prop-2-enoate
CID 19181737
[4-(4-acetylphenoxy)phenyl] acetate
CID 86194882
(2S)-N-(4-acetylphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 9238804
N-(4-acetylphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953600
1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]phenyl]phenoxy]phenyl]ethanone
CID 126710300
4-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)benzamide
CID 16651154
1-[4-(1-methoxyethyl)phenyl]ethanone
CID 12735290
1-(4-methoxyphenyl)ethanone;2-(4-methoxyphenyl)propanoic acid
CID 157331478

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-propan-2-ylphenoxy)phenyl]ethanone?
The IUPAC name of 1-[4-(4-propan-2-ylphenoxy)phenyl]ethanone (CID 28524219) is 1-[4-(4-propan-2-ylphenoxy)phenyl]ethanone.
What is the SMILES notation for 1-[4-(4-propan-2-ylphenoxy)phenyl]ethanone?
The canonical SMILES for 1-[4-(4-propan-2-ylphenoxy)phenyl]ethanone is CC(=O)c1ccc(Oc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 1-[4-(4-propan-2-ylphenoxy)phenyl]ethanone?
The InChIKey is AIYPFUZUKLFFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-12(2)14-4-8-16(9-5-14)19-17-10-6-15(7-11-17)13(3)18/h4-12H,1-3H3.
What are the key properties of 1-[4-(4-propan-2-ylphenoxy)phenyl]ethanone?
1-[4-(4-propan-2-ylphenoxy)phenyl]ethanone has a molecular weight of 254.33 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-propan-2-ylphenoxy)phenyl]ethanone is sourced from PubChem (CID 28524219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).