1-phenylethoxymethylbenzene

C15H16O — CID 11127587

IUPAC1-phenylethoxymethylbenzene
SMILESCC(OCc1ccccc1)c1ccccc1
InChIInChI=1S/C15H16O/c1-13(15-10-6-3-7-11-15)16-12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3
InChIKeyHCXOWXKXHAQXJT-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.96
Rot. Bonds4

About 1-phenylethoxymethylbenzene

1-phenylethoxymethylbenzene (PubChem CID 11127587) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-phenylethoxymethylbenzene.

Molecular Properties

Compound Name1-phenylethoxymethylbenzene
PubChem CID11127587
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name1-phenylethoxymethylbenzene
SMILESCC(OCc1ccccc1)c1ccccc1
InChIInChI=1S/C15H16O/c1-13(15-10-6-3-7-11-15)16-12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3
InChIKeyHCXOWXKXHAQXJT-UHFFFAOYSA-N
XLogP3.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-phenylethoxymethylbenzene?
The IUPAC name of 1-phenylethoxymethylbenzene (CID 11127587) is 1-phenylethoxymethylbenzene.
What is the SMILES notation for 1-phenylethoxymethylbenzene?
The canonical SMILES for 1-phenylethoxymethylbenzene is CC(OCc1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenylethoxymethylbenzene?
The InChIKey is HCXOWXKXHAQXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O/c1-13(15-10-6-3-7-11-15)16-12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3.
What are the key properties of 1-phenylethoxymethylbenzene?
1-phenylethoxymethylbenzene has a molecular weight of 212.29 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethoxymethylbenzene is sourced from PubChem (CID 11127587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).