1-(3-phenylmethoxyphenyl)propan-1-one

C16H16O2 — CID 18955597

IUPAC1-(3-phenylmethoxyphenyl)propan-1-one
SMILESCCC(=O)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C16H16O2/c1-2-16(17)14-9-6-10-15(11-14)18-12-13-7-4-3-5-8-13/h3-11H,2,12H2,1H3
InChIKeyJSKCFWWAJLLROT-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.86
Rot. Bonds5

About 1-(3-phenylmethoxyphenyl)propan-1-one

1-(3-phenylmethoxyphenyl)propan-1-one (PubChem CID 18955597) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(3-phenylmethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(3-phenylmethoxyphenyl)propan-1-one
PubChem CID18955597
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name1-(3-phenylmethoxyphenyl)propan-1-one
SMILESCCC(=O)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C16H16O2/c1-2-16(17)14-9-6-10-15(11-14)18-12-13-7-4-3-5-8-13/h3-11H,2,12H2,1H3
InChIKeyJSKCFWWAJLLROT-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylmethoxyphenyl)propan-1-one?
The IUPAC name of 1-(3-phenylmethoxyphenyl)propan-1-one (CID 18955597) is 1-(3-phenylmethoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(3-phenylmethoxyphenyl)propan-1-one?
The canonical SMILES for 1-(3-phenylmethoxyphenyl)propan-1-one is CCC(=O)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of 1-(3-phenylmethoxyphenyl)propan-1-one?
The InChIKey is JSKCFWWAJLLROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-2-16(17)14-9-6-10-15(11-14)18-12-13-7-4-3-5-8-13/h3-11H,2,12H2,1H3.
What are the key properties of 1-(3-phenylmethoxyphenyl)propan-1-one?
1-(3-phenylmethoxyphenyl)propan-1-one has a molecular weight of 240.30 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylmethoxyphenyl)propan-1-one is sourced from PubChem (CID 18955597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).