1-phenyl-2-propoxypropan-1-one

C12H16O2 — CID 43801137

IUPAC1-phenyl-2-propoxypropan-1-one
SMILESCCCOC(C)C(=O)c1ccccc1
InChIInChI=1S/C12H16O2/c1-3-9-14-10(2)12(13)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
InChIKeyJLEYYYBNVCSAHO-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.68
Rot. Bonds5

About 1-phenyl-2-propoxypropan-1-one

1-phenyl-2-propoxypropan-1-one (PubChem CID 43801137) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-phenyl-2-propoxypropan-1-one.

Molecular Properties

Compound Name1-phenyl-2-propoxypropan-1-one
PubChem CID43801137
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-phenyl-2-propoxypropan-1-one
SMILESCCCOC(C)C(=O)c1ccccc1
InChIInChI=1S/C12H16O2/c1-3-9-14-10(2)12(13)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
InChIKeyJLEYYYBNVCSAHO-UHFFFAOYSA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromoethoxy)-1-phenylpropan-1-one
CID 54435812
2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-phenylpropan-1-one
CID 112588356
2-(1-ethoxyethoxy)-1-phenylpropan-1-one
CID 13311945
2-ethoxy-1-(4-propoxyphenyl)propan-1-one
CID 64540880
propyl N-methyl-N-(1-oxo-1-phenylpropan-2-yl)carbamate
CID 91747711
1-(4-methylphenyl)-2-(2-phenoxyethoxy)propan-1-one
CID 43798628
1-phenyl-2-[propan-2-yl(propyl)amino]propan-1-one
CID 43795382
1-phenyl-2-(2-propan-2-yloxyethoxy)butan-1-one
CID 43799153
2-[(4-bromophenyl)methoxy]-1-phenylpropan-1-one
CID 82826900
2-(2-benzyl-2-hydroxy-3-phenylpropoxy)-1-phenylpropan-1-one
CID 15163839
benzene;2,2-diethoxy-1-phenylethanone;hydrate
CID 174859350
ethyl (2R)-2-fluoro-3-oxo-3-phenylpropanoate
CID 98056042

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-propoxypropan-1-one?
The IUPAC name of 1-phenyl-2-propoxypropan-1-one (CID 43801137) is 1-phenyl-2-propoxypropan-1-one.
What is the SMILES notation for 1-phenyl-2-propoxypropan-1-one?
The canonical SMILES for 1-phenyl-2-propoxypropan-1-one is CCCOC(C)C(=O)c1ccccc1.
What is the InChIKey of 1-phenyl-2-propoxypropan-1-one?
The InChIKey is JLEYYYBNVCSAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-3-9-14-10(2)12(13)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3.
What are the key properties of 1-phenyl-2-propoxypropan-1-one?
1-phenyl-2-propoxypropan-1-one has a molecular weight of 192.26 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-propoxypropan-1-one is sourced from PubChem (CID 43801137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).