1-[4-(phenylmethoxymethyl)phenyl]ethanone

C16H16O2 — CID 561791

IUPAC1-[4-(phenylmethoxymethyl)phenyl]ethanone
SMILESCC(=O)c1ccc(COCc2ccccc2)cc1
InChIInChI=1S/C16H16O2/c1-13(17)16-9-7-15(8-10-16)12-18-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeyVDKPEYGRSTWPBA-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.61
Rot. Bonds5

About 1-[4-(phenylmethoxymethyl)phenyl]ethanone

1-[4-(phenylmethoxymethyl)phenyl]ethanone (PubChem CID 561791) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[4-(phenylmethoxymethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(phenylmethoxymethyl)phenyl]ethanone
PubChem CID561791
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name1-[4-(phenylmethoxymethyl)phenyl]ethanone
SMILESCC(=O)c1ccc(COCc2ccccc2)cc1
InChIInChI=1S/C16H16O2/c1-13(17)16-9-7-15(8-10-16)12-18-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeyVDKPEYGRSTWPBA-UHFFFAOYSA-N
XLogP3.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzyl Benzoate
CID 2345
Butyl Benzyl Phthalate
CID 2347
Dimethyl terephthalate
CID 8441
Butyl Benzoate
CID 8698
Hexyl benzoate
CID 23235
Di-(2-ethylhexyl) terephthalate
CID 22932
Propyl Benzoate
CID 16846
Phenethyl Benzoate
CID 7194
3-Hexenyl benzoate, (3Z)-
CID 5367706
Prenyl benzoate
CID 21265
Ethyl benzoate
CID 7165
Isoamyl benzoate
CID 7193

Frequently Asked Questions

What is the IUPAC name of 1-[4-(phenylmethoxymethyl)phenyl]ethanone?
The IUPAC name of 1-[4-(phenylmethoxymethyl)phenyl]ethanone (CID 561791) is 1-[4-(phenylmethoxymethyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(phenylmethoxymethyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(phenylmethoxymethyl)phenyl]ethanone is CC(=O)c1ccc(COCc2ccccc2)cc1.
What is the InChIKey of 1-[4-(phenylmethoxymethyl)phenyl]ethanone?
The InChIKey is VDKPEYGRSTWPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-13(17)16-9-7-15(8-10-16)12-18-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3.
What are the key properties of 1-[4-(phenylmethoxymethyl)phenyl]ethanone?
1-[4-(phenylmethoxymethyl)phenyl]ethanone has a molecular weight of 240.30 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(phenylmethoxymethyl)phenyl]ethanone is sourced from PubChem (CID 561791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).