1-phenyl-3-(2-propan-2-ylphenoxy)propan-2-one

C18H20O2 — CID 43799955

IUPAC1-phenyl-3-(2-propan-2-ylphenoxy)propan-2-one
SMILESCC(C)c1ccccc1OCC(=O)Cc1ccccc1
InChIInChI=1S/C18H20O2/c1-14(2)17-10-6-7-11-18(17)20-13-16(19)12-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3
InChIKeyWGJLOFVUZORBMG-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.00
Rot. Bonds6

About 1-phenyl-3-(2-propan-2-ylphenoxy)propan-2-one

1-phenyl-3-(2-propan-2-ylphenoxy)propan-2-one (PubChem CID 43799955) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-phenyl-3-(2-propan-2-ylphenoxy)propan-2-one.

Molecular Properties

Compound Name1-phenyl-3-(2-propan-2-ylphenoxy)propan-2-one
PubChem CID43799955
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name1-phenyl-3-(2-propan-2-ylphenoxy)propan-2-one
SMILESCC(C)c1ccccc1OCC(=O)Cc1ccccc1
InChIInChI=1S/C18H20O2/c1-14(2)17-10-6-7-11-18(17)20-13-16(19)12-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3
InChIKeyWGJLOFVUZORBMG-UHFFFAOYSA-N
XLogP4.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-2-(2-propan-2-ylphenoxy)ethanone
CID 43413868
benzyl N-[[2-(2-propan-2-ylphenoxy)acetyl]amino]carbamate
CID 4935782
ethyl 4-oxo-5-(2-propan-2-ylphenoxy)pentanoate
CID 103484892
2,2-dimethyl-3-(2-propan-2-ylphenoxy)propanoic acid
CID 20986649
N-propan-2-yl-2-(2-propan-2-ylphenoxy)acetamide
CID 19168088
N-(2-phenylmethoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 17093436
N-methyl-2-(2-propan-2-ylphenoxy)acetohydrazide
CID 116820498
N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 922574
(2-chlorophenyl) 2-(2-propan-2-ylphenoxy)acetate
CID 19179422
1-N',5-N'-bis[2-(2-propan-2-ylphenoxy)acetyl]pentanedihydrazide
CID 3554714
2-[(2-propan-2-ylphenoxy)methyl]benzoic acid
CID 20987862
2-phenylethyl 4-[2-(2-propan-2-ylphenoxy)acetyl]oxybenzoate
CID 17143079

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(2-propan-2-ylphenoxy)propan-2-one?
The IUPAC name of 1-phenyl-3-(2-propan-2-ylphenoxy)propan-2-one (CID 43799955) is 1-phenyl-3-(2-propan-2-ylphenoxy)propan-2-one.
What is the SMILES notation for 1-phenyl-3-(2-propan-2-ylphenoxy)propan-2-one?
The canonical SMILES for 1-phenyl-3-(2-propan-2-ylphenoxy)propan-2-one is CC(C)c1ccccc1OCC(=O)Cc1ccccc1.
What is the InChIKey of 1-phenyl-3-(2-propan-2-ylphenoxy)propan-2-one?
The InChIKey is WGJLOFVUZORBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-14(2)17-10-6-7-11-18(17)20-13-16(19)12-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3.
What are the key properties of 1-phenyl-3-(2-propan-2-ylphenoxy)propan-2-one?
1-phenyl-3-(2-propan-2-ylphenoxy)propan-2-one has a molecular weight of 268.36 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(2-propan-2-ylphenoxy)propan-2-one is sourced from PubChem (CID 43799955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).