1-tert-butyl-3-[[3-(diethoxymethyl)phenyl]methoxy]-5-methylbenzene;ethane

C25H38O3 — CID 144776759

IUPAC1-tert-butyl-3-[[3-(diethoxymethyl)phenyl]methoxy]-5-methylbenzene;ethane
SMILESCC.CCOC(OCC)c1cccc(COc2cc(C)cc(C(C)(C)C)c2)c1
InChIInChI=1S/C23H32O3.C2H6/c1-7-24-22(25-8-2)19-11-9-10-18(14-19)16-26-21-13-17(3)12-20(15-21)23(4,5)6;1-2/h9-15,22H,7-8,16H2,1-6H3;1-2H3
InChIKeyWUWGPHOYLUXJTJ-UHFFFAOYSA-N
MW386.58 g/mol
LogP6.97
Rot. Bonds8

About 1-tert-butyl-3-[[3-(diethoxymethyl)phenyl]methoxy]-5-methylbenzene;ethane

1-tert-butyl-3-[[3-(diethoxymethyl)phenyl]methoxy]-5-methylbenzene;ethane (PubChem CID 144776759) has the molecular formula C25H38O3 and a molecular weight of 386.58 g/mol. Its IUPAC name is 1-tert-butyl-3-[[3-(diethoxymethyl)phenyl]methoxy]-5-methylbenzene;ethane.

Molecular Properties

Compound Name1-tert-butyl-3-[[3-(diethoxymethyl)phenyl]methoxy]-5-methylbenzene;ethane
PubChem CID144776759
Molecular FormulaC25H38O3
Molecular Weight386.58 g/mol
Exact Mass386.28
IUPAC Name1-tert-butyl-3-[[3-(diethoxymethyl)phenyl]methoxy]-5-methylbenzene;ethane
SMILESCC.CCOC(OCC)c1cccc(COc2cc(C)cc(C(C)(C)C)c2)c1
InChIInChI=1S/C23H32O3.C2H6/c1-7-24-22(25-8-2)19-11-9-10-18(14-19)16-26-21-13-17(3)12-20(15-21)23(4,5)6;1-2/h9-15,22H,7-8,16H2,1-6H3;1-2H3
InChIKeyWUWGPHOYLUXJTJ-UHFFFAOYSA-N
XLogP6.97
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.58
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-3-(diethoxymethyl)benzene
CID 146004634
1-(diethoxymethyl)-3-[(4-fluorophenyl)methoxy]benzene
CID 146004732
1,3-ditert-butyl-5-[[4-[9-[4-[(3,5-ditert-butylphenoxy)methyl]phenoxy]nonoxy]phenyl]methoxy]benzene
CID 177395046
3-[(4-tert-butylphenyl)methoxy]-5-methylphenol
CID 107679876
1-bromo-3-methyl-5-[(3-methylphenyl)methoxy]benzene
CID 164573942
1,3-ditert-butyl-5-[2-(4-methylphenoxy)ethoxy]benzene
CID 86190346
1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene
CID 102395902
2-(diethoxymethyl)-1-methyl-4-phenylmethoxybenzene
CID 3847093
3-[(3-tert-butylphenoxy)methyl]benzonitrile
CID 43238316
3-[(3-ethylphenyl)methoxy]-5-methylbenzaldehyde
CID 123229702
3-[3-[(3-fluorophenyl)methoxy]-5-methylphenoxy]-5-methylphenol
CID 175589747
3-[[4-(2-methylbutan-2-yl)phenoxy]methyl]phenol
CID 70563194

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[[3-(diethoxymethyl)phenyl]methoxy]-5-methylbenzene;ethane?
The IUPAC name of 1-tert-butyl-3-[[3-(diethoxymethyl)phenyl]methoxy]-5-methylbenzene;ethane (CID 144776759) is 1-tert-butyl-3-[[3-(diethoxymethyl)phenyl]methoxy]-5-methylbenzene;ethane.
What is the SMILES notation for 1-tert-butyl-3-[[3-(diethoxymethyl)phenyl]methoxy]-5-methylbenzene;ethane?
The canonical SMILES for 1-tert-butyl-3-[[3-(diethoxymethyl)phenyl]methoxy]-5-methylbenzene;ethane is CC.CCOC(OCC)c1cccc(COc2cc(C)cc(C(C)(C)C)c2)c1.
What is the InChIKey of 1-tert-butyl-3-[[3-(diethoxymethyl)phenyl]methoxy]-5-methylbenzene;ethane?
The InChIKey is WUWGPHOYLUXJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O3.C2H6/c1-7-24-22(25-8-2)19-11-9-10-18(14-19)16-26-21-13-17(3)12-20(15-21)23(4,5)6;1-2/h9-15,22H,7-8,16H2,1-6H3;1-2H3.
What are the key properties of 1-tert-butyl-3-[[3-(diethoxymethyl)phenyl]methoxy]-5-methylbenzene;ethane?
1-tert-butyl-3-[[3-(diethoxymethyl)phenyl]methoxy]-5-methylbenzene;ethane has a molecular weight of 386.58 g/mol, XLogP of 6.97, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[[3-(diethoxymethyl)phenyl]methoxy]-5-methylbenzene;ethane is sourced from PubChem (CID 144776759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).