1-(diethoxymethyl)-4-phenylbenzene

C17H20O2 — CID 86173560

IUPAC1-(diethoxymethyl)-4-phenylbenzene
SMILESCCOC(OCC)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H20O2/c1-3-18-17(19-4-2)16-12-10-15(11-13-16)14-8-6-5-7-9-14/h5-13,17H,3-4H2,1-2H3
InChIKeyLBDVKFNBJFQEEH-UHFFFAOYSA-N
MW256.34 g/mol
LogP4.43
Rot. Bonds6

About 1-(diethoxymethyl)-4-phenylbenzene

1-(diethoxymethyl)-4-phenylbenzene (PubChem CID 86173560) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 1-(diethoxymethyl)-4-phenylbenzene.

Molecular Properties

Compound Name1-(diethoxymethyl)-4-phenylbenzene
PubChem CID86173560
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name1-(diethoxymethyl)-4-phenylbenzene
SMILESCCOC(OCC)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H20O2/c1-3-18-17(19-4-2)16-12-10-15(11-13-16)14-8-6-5-7-9-14/h5-13,17H,3-4H2,1-2H3
InChIKeyLBDVKFNBJFQEEH-UHFFFAOYSA-N
XLogP4.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.43
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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Related Compounds

Benzaldehyde dimethyl acetal
CID 62375
(Diethoxymethyl)benzene
CID 69884
p-Isopropylbenzyl acetate
CID 100990
1,1-Bis(phenethyloxy)ethane
CID 101592
1-Benzyloxy-1-(2-methoxyethoxy)ethane
CID 22235151
2,5,5-Trimethyl-2-phenyl-1,3-dioxane
CID 79409
4-Methyl-4-phenyl-1,3-dioxane
CID 92875
1,3-Dioxane, 2,4,6-trimethyl-4-phenyl-
CID 107381
2,2-Diphenyltetrahydrofuran
CID 70175
4-Methylbenzaldehyde propyleneglycol acetal
CID 94001
1,1-Dibenzyloxy-2-phenylethane
CID 95980
3,9-Diphenyl-2,4,8,10-tetraoxaspiro[5.5]undecane
CID 241146

Frequently Asked Questions

What is the IUPAC name of 1-(diethoxymethyl)-4-phenylbenzene?
The IUPAC name of 1-(diethoxymethyl)-4-phenylbenzene (CID 86173560) is 1-(diethoxymethyl)-4-phenylbenzene.
What is the SMILES notation for 1-(diethoxymethyl)-4-phenylbenzene?
The canonical SMILES for 1-(diethoxymethyl)-4-phenylbenzene is CCOC(OCC)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(diethoxymethyl)-4-phenylbenzene?
The InChIKey is LBDVKFNBJFQEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-3-18-17(19-4-2)16-12-10-15(11-13-16)14-8-6-5-7-9-14/h5-13,17H,3-4H2,1-2H3.
What are the key properties of 1-(diethoxymethyl)-4-phenylbenzene?
1-(diethoxymethyl)-4-phenylbenzene has a molecular weight of 256.34 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethoxymethyl)-4-phenylbenzene is sourced from PubChem (CID 86173560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).