1-[diethoxy(phenyl)methyl]-4-methylbenzene

C18H22O2 — CID 13274602

IUPAC1-[diethoxy(phenyl)methyl]-4-methylbenzene
SMILESCCOC(OCC)(c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C18H22O2/c1-4-19-18(20-5-2,16-9-7-6-8-10-16)17-13-11-15(3)12-14-17/h6-14H,4-5H2,1-3H3
InChIKeyVEJFDIBWODFRFW-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.27
Rot. Bonds6

About 1-[diethoxy(phenyl)methyl]-4-methylbenzene

1-[diethoxy(phenyl)methyl]-4-methylbenzene (PubChem CID 13274602) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[diethoxy(phenyl)methyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[diethoxy(phenyl)methyl]-4-methylbenzene
PubChem CID13274602
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name1-[diethoxy(phenyl)methyl]-4-methylbenzene
SMILESCCOC(OCC)(c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C18H22O2/c1-4-19-18(20-5-2,16-9-7-6-8-10-16)17-13-11-15(3)12-14-17/h6-14H,4-5H2,1-3H3
InChIKeyVEJFDIBWODFRFW-UHFFFAOYSA-N
XLogP4.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[diethoxy(phenyl)methyl]-4-methylbenzene?
The IUPAC name of 1-[diethoxy(phenyl)methyl]-4-methylbenzene (CID 13274602) is 1-[diethoxy(phenyl)methyl]-4-methylbenzene.
What is the SMILES notation for 1-[diethoxy(phenyl)methyl]-4-methylbenzene?
The canonical SMILES for 1-[diethoxy(phenyl)methyl]-4-methylbenzene is CCOC(OCC)(c1ccccc1)c1ccc(C)cc1.
What is the InChIKey of 1-[diethoxy(phenyl)methyl]-4-methylbenzene?
The InChIKey is VEJFDIBWODFRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-4-19-18(20-5-2,16-9-7-6-8-10-16)17-13-11-15(3)12-14-17/h6-14H,4-5H2,1-3H3.
What are the key properties of 1-[diethoxy(phenyl)methyl]-4-methylbenzene?
1-[diethoxy(phenyl)methyl]-4-methylbenzene has a molecular weight of 270.37 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[diethoxy(phenyl)methyl]-4-methylbenzene is sourced from PubChem (CID 13274602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).