1-phenyl-2-(4-propan-2-ylphenoxy)propan-1-one

C18H20O2 — CID 43411936

IUPAC1-phenyl-2-(4-propan-2-ylphenoxy)propan-1-one
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)c1ccccc1
InChIInChI=1S/C18H20O2/c1-13(2)15-9-11-17(12-10-15)20-14(3)18(19)16-7-5-4-6-8-16/h4-14H,1-3H3
InChIKeyJXLWGOIPEYNLAV-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.46
Rot. Bonds5

About 1-phenyl-2-(4-propan-2-ylphenoxy)propan-1-one

1-phenyl-2-(4-propan-2-ylphenoxy)propan-1-one (PubChem CID 43411936) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-phenyl-2-(4-propan-2-ylphenoxy)propan-1-one.

Molecular Properties

Compound Name1-phenyl-2-(4-propan-2-ylphenoxy)propan-1-one
PubChem CID43411936
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name1-phenyl-2-(4-propan-2-ylphenoxy)propan-1-one
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)c1ccccc1
InChIInChI=1S/C18H20O2/c1-13(2)15-9-11-17(12-10-15)20-14(3)18(19)16-7-5-4-6-8-16/h4-14H,1-3H3
InChIKeyJXLWGOIPEYNLAV-UHFFFAOYSA-N
XLogP4.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-chlorophenoxy)-1-phenylpropan-1-one
CID 94165642
2-(4-propan-2-ylphenoxy)propanoic acid
CID 3252680
1-phenyl-2-[4-(trifluoromethyl)phenoxy]propan-1-one
CID 60624061
(2R)-1-(4-methoxyphenyl)-2-(4-phenylphenoxy)propan-1-one
CID 2571565
2-[4-(1-oxo-1-phenylpropan-2-yl)oxyphenyl]acetonitrile
CID 60623998
2-hydroxy-1-phenyl-2-(4-propan-2-ylphenyl)ethanone
CID 23513084
1,1-dimethyl-3-[4-(1-oxo-1-phenylpropan-2-yl)oxyphenyl]urea
CID 13292214
1-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-one
CID 61398636
(1-oxo-1-phenylpropan-2-yl) 2-[4-(4-chlorophenoxy)phenoxy]propanoate
CID 70588424
(2S)-N-benzyl-2-(4-propan-2-ylphenoxy)propanamide
CID 9239248
3,4-dichloro-N-[4-[(2R)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide
CID 1218534
N-phenyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 54781105

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(4-propan-2-ylphenoxy)propan-1-one?
The IUPAC name of 1-phenyl-2-(4-propan-2-ylphenoxy)propan-1-one (CID 43411936) is 1-phenyl-2-(4-propan-2-ylphenoxy)propan-1-one.
What is the SMILES notation for 1-phenyl-2-(4-propan-2-ylphenoxy)propan-1-one?
The canonical SMILES for 1-phenyl-2-(4-propan-2-ylphenoxy)propan-1-one is CC(Oc1ccc(C(C)C)cc1)C(=O)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(4-propan-2-ylphenoxy)propan-1-one?
The InChIKey is JXLWGOIPEYNLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-13(2)15-9-11-17(12-10-15)20-14(3)18(19)16-7-5-4-6-8-16/h4-14H,1-3H3.
What are the key properties of 1-phenyl-2-(4-propan-2-ylphenoxy)propan-1-one?
1-phenyl-2-(4-propan-2-ylphenoxy)propan-1-one has a molecular weight of 268.36 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(4-propan-2-ylphenoxy)propan-1-one is sourced from PubChem (CID 43411936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).