3-(2-tert-butyl-5-methylphenoxy)-4,5-dimethoxybenzaldehyde

C20H24O4 — CID 7138957

IUPAC3-(2-tert-butyl-5-methylphenoxy)-4,5-dimethoxybenzaldehyde
SMILESCOc1cc(C=O)cc(Oc2cc(C)ccc2C(C)(C)C)c1OC
InChIInChI=1S/C20H24O4/c1-13-7-8-15(20(2,3)4)16(9-13)24-18-11-14(12-21)10-17(22-5)19(18)23-6/h7-12H,1-6H3
InChIKeyUTKDBXYCNHUTOF-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.91
Rot. Bonds5

About 3-(2-tert-butyl-5-methylphenoxy)-4,5-dimethoxybenzaldehyde

3-(2-tert-butyl-5-methylphenoxy)-4,5-dimethoxybenzaldehyde (PubChem CID 7138957) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-(2-tert-butyl-5-methylphenoxy)-4,5-dimethoxybenzaldehyde.

Molecular Properties

Compound Name3-(2-tert-butyl-5-methylphenoxy)-4,5-dimethoxybenzaldehyde
PubChem CID7138957
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name3-(2-tert-butyl-5-methylphenoxy)-4,5-dimethoxybenzaldehyde
SMILESCOc1cc(C=O)cc(Oc2cc(C)ccc2C(C)(C)C)c1OC
InChIInChI=1S/C20H24O4/c1-13-7-8-15(20(2,3)4)16(9-13)24-18-11-14(12-21)10-17(22-5)19(18)23-6/h7-12H,1-6H3
InChIKeyUTKDBXYCNHUTOF-UHFFFAOYSA-N
XLogP4.91
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-butoxy-3-(2-tert-butyl-4-methylphenoxy)-5-methoxybenzaldehyde
CID 7139106
ethane;3,4,5-trimethoxybenzaldehyde
CID 143400832
2-(2-tert-butyl-5-methylphenoxy)-5-chlorobenzaldehyde
CID 114844809
4-butoxy-3-(2-tert-butylphenoxy)-5-methoxybenzaldehyde
CID 7139103
4-butoxy-3-(2-tert-butyl-4-methoxyphenoxy)-5-methoxybenzaldehyde
CID 7139109
carbanide;3,4-dimethoxybenzaldehyde;1,2-dimethoxy-4-methylbenzene;palladium
CID 158784293
3-tert-butyl-4-methoxybenzaldehyde
CID 3774604
3-(2,5-dimethylphenoxy)-4-methylbenzaldehyde
CID 105405428
2-(4-methylphenyl)acetaldehyde;1,2,3-trimethoxy-5-methylbenzene
CID 174802138
3-(2,4-dimethylphenoxy)-5-methoxy-4-pentoxybenzaldehyde
CID 7139130
[4-formyl-2-(4-formyl-2-methoxyphenoxy)-6-methoxyphenyl] formate
CID 162660867
3-ethyl-4,5-dimethoxybenzaldehyde
CID 88965998

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butyl-5-methylphenoxy)-4,5-dimethoxybenzaldehyde?
The IUPAC name of 3-(2-tert-butyl-5-methylphenoxy)-4,5-dimethoxybenzaldehyde (CID 7138957) is 3-(2-tert-butyl-5-methylphenoxy)-4,5-dimethoxybenzaldehyde.
What is the SMILES notation for 3-(2-tert-butyl-5-methylphenoxy)-4,5-dimethoxybenzaldehyde?
The canonical SMILES for 3-(2-tert-butyl-5-methylphenoxy)-4,5-dimethoxybenzaldehyde is COc1cc(C=O)cc(Oc2cc(C)ccc2C(C)(C)C)c1OC.
What is the InChIKey of 3-(2-tert-butyl-5-methylphenoxy)-4,5-dimethoxybenzaldehyde?
The InChIKey is UTKDBXYCNHUTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-13-7-8-15(20(2,3)4)16(9-13)24-18-11-14(12-21)10-17(22-5)19(18)23-6/h7-12H,1-6H3.
What are the key properties of 3-(2-tert-butyl-5-methylphenoxy)-4,5-dimethoxybenzaldehyde?
3-(2-tert-butyl-5-methylphenoxy)-4,5-dimethoxybenzaldehyde has a molecular weight of 328.41 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butyl-5-methylphenoxy)-4,5-dimethoxybenzaldehyde is sourced from PubChem (CID 7138957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).