1-[4-(ethoxymethyl)phenyl]propan-2-one

C12H16O2 — CID 83878087

IUPAC1-[4-(ethoxymethyl)phenyl]propan-2-one
SMILESCCOCc1ccc(CC(C)=O)cc1
InChIInChI=1S/C12H16O2/c1-3-14-9-12-6-4-11(5-7-12)8-10(2)13/h4-7H,3,8-9H2,1-2H3
InChIKeyWRNXTEYBQBYURL-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.35
Rot. Bonds5

About 1-[4-(ethoxymethyl)phenyl]propan-2-one

1-[4-(ethoxymethyl)phenyl]propan-2-one (PubChem CID 83878087) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-[4-(ethoxymethyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-(ethoxymethyl)phenyl]propan-2-one
PubChem CID83878087
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-[4-(ethoxymethyl)phenyl]propan-2-one
SMILESCCOCc1ccc(CC(C)=O)cc1
InChIInChI=1S/C12H16O2/c1-3-14-9-12-6-4-11(5-7-12)8-10(2)13/h4-7H,3,8-9H2,1-2H3
InChIKeyWRNXTEYBQBYURL-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzyl phenylacetate
CID 60999
Benzyl hexanoate
CID 23367
Dibutyl terephthalate
CID 16066
alpha-Methylbenzyl butyrate
CID 570574
Benzyl laurate
CID 8791
Geranyl phenylacetate
CID 5366044
Benzyl pentanoate
CID 82584
p-Isopropylbenzyl acetate
CID 100990
Octyl benzoate
CID 66751
1-Phenylpropyl butyrate
CID 61447
Benzyl octanoate
CID 82511
Benzyl caprate
CID 562246

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethoxymethyl)phenyl]propan-2-one?
The IUPAC name of 1-[4-(ethoxymethyl)phenyl]propan-2-one (CID 83878087) is 1-[4-(ethoxymethyl)phenyl]propan-2-one.
What is the SMILES notation for 1-[4-(ethoxymethyl)phenyl]propan-2-one?
The canonical SMILES for 1-[4-(ethoxymethyl)phenyl]propan-2-one is CCOCc1ccc(CC(C)=O)cc1.
What is the InChIKey of 1-[4-(ethoxymethyl)phenyl]propan-2-one?
The InChIKey is WRNXTEYBQBYURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-3-14-9-12-6-4-11(5-7-12)8-10(2)13/h4-7H,3,8-9H2,1-2H3.
What are the key properties of 1-[4-(ethoxymethyl)phenyl]propan-2-one?
1-[4-(ethoxymethyl)phenyl]propan-2-one has a molecular weight of 192.26 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethoxymethyl)phenyl]propan-2-one is sourced from PubChem (CID 83878087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).