[phenyl(propoxy)methyl]benzene

C16H18O — CID 4651659

IUPAC[phenyl(propoxy)methyl]benzene
SMILESCCCOC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18O/c1-2-13-17-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3
InChIKeyRYBNGIBEGIRICU-UHFFFAOYSA-N
MW226.32 g/mol
LogP4.20
Rot. Bonds5

About [phenyl(propoxy)methyl]benzene

[phenyl(propoxy)methyl]benzene (PubChem CID 4651659) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is [phenyl(propoxy)methyl]benzene.

Molecular Properties

Compound Name[phenyl(propoxy)methyl]benzene
PubChem CID4651659
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name[phenyl(propoxy)methyl]benzene
SMILESCCCOC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18O/c1-2-13-17-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3
InChIKeyRYBNGIBEGIRICU-UHFFFAOYSA-N
XLogP4.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [phenyl(propoxy)methyl]benzene?
The IUPAC name of [phenyl(propoxy)methyl]benzene (CID 4651659) is [phenyl(propoxy)methyl]benzene.
What is the SMILES notation for [phenyl(propoxy)methyl]benzene?
The canonical SMILES for [phenyl(propoxy)methyl]benzene is CCCOC(c1ccccc1)c1ccccc1.
What is the InChIKey of [phenyl(propoxy)methyl]benzene?
The InChIKey is RYBNGIBEGIRICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c1-2-13-17-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3.
What are the key properties of [phenyl(propoxy)methyl]benzene?
[phenyl(propoxy)methyl]benzene has a molecular weight of 226.32 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [phenyl(propoxy)methyl]benzene is sourced from PubChem (CID 4651659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).