tert-butyl 3-(2-formyl-4-methoxyphenyl)-3-(4-methoxy-2-methylphenyl)propanoate

C23H28O5 — CID 10500239

IUPACtert-butyl 3-(2-formyl-4-methoxyphenyl)-3-(4-methoxy-2-methylphenyl)propanoate
SMILESCOc1ccc(C(CC(=O)OC(C)(C)C)c2ccc(OC)cc2C=O)c(C)c1
InChIInChI=1S/C23H28O5/c1-15-11-17(26-5)7-9-19(15)21(13-22(25)28-23(2,3)4)20-10-8-18(27-6)12-16(20)14-24/h7-12,14,21H,13H2,1-6H3
InChIKeyIUCXELZSWZLYCA-UHFFFAOYSA-N
MW384.47 g/mol
LogP4.69
Rot. Bonds7

About tert-butyl 3-(2-formyl-4-methoxyphenyl)-3-(4-methoxy-2-methylphenyl)propanoate

tert-butyl 3-(2-formyl-4-methoxyphenyl)-3-(4-methoxy-2-methylphenyl)propanoate (PubChem CID 10500239) has the molecular formula C23H28O5 and a molecular weight of 384.47 g/mol. Its IUPAC name is tert-butyl 3-(2-formyl-4-methoxyphenyl)-3-(4-methoxy-2-methylphenyl)propanoate.

Molecular Properties

Compound Nametert-butyl 3-(2-formyl-4-methoxyphenyl)-3-(4-methoxy-2-methylphenyl)propanoate
PubChem CID10500239
Molecular FormulaC23H28O5
Molecular Weight384.47 g/mol
Exact Mass384.19
IUPAC Nametert-butyl 3-(2-formyl-4-methoxyphenyl)-3-(4-methoxy-2-methylphenyl)propanoate
SMILESCOc1ccc(C(CC(=O)OC(C)(C)C)c2ccc(OC)cc2C=O)c(C)c1
InChIInChI=1S/C23H28O5/c1-15-11-17(26-5)7-9-19(15)21(13-22(25)28-23(2,3)4)20-10-8-18(27-6)12-16(20)14-24/h7-12,14,21H,13H2,1-6H3
InChIKeyIUCXELZSWZLYCA-UHFFFAOYSA-N
XLogP4.69
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl 3-(2-formyl-4-methoxyphenyl)-3-(4-methoxy-2-methylphenyl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-formyl-4-methoxyphenyl)-3-(4-methoxy-2-methylphenyl)propanoate?
The IUPAC name of tert-butyl 3-(2-formyl-4-methoxyphenyl)-3-(4-methoxy-2-methylphenyl)propanoate (CID 10500239) is tert-butyl 3-(2-formyl-4-methoxyphenyl)-3-(4-methoxy-2-methylphenyl)propanoate.
What is the SMILES notation for tert-butyl 3-(2-formyl-4-methoxyphenyl)-3-(4-methoxy-2-methylphenyl)propanoate?
The canonical SMILES for tert-butyl 3-(2-formyl-4-methoxyphenyl)-3-(4-methoxy-2-methylphenyl)propanoate is COc1ccc(C(CC(=O)OC(C)(C)C)c2ccc(OC)cc2C=O)c(C)c1.
What is the InChIKey of tert-butyl 3-(2-formyl-4-methoxyphenyl)-3-(4-methoxy-2-methylphenyl)propanoate?
The InChIKey is IUCXELZSWZLYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O5/c1-15-11-17(26-5)7-9-19(15)21(13-22(25)28-23(2,3)4)20-10-8-18(27-6)12-16(20)14-24/h7-12,14,21H,13H2,1-6H3.
What are the key properties of tert-butyl 3-(2-formyl-4-methoxyphenyl)-3-(4-methoxy-2-methylphenyl)propanoate?
tert-butyl 3-(2-formyl-4-methoxyphenyl)-3-(4-methoxy-2-methylphenyl)propanoate has a molecular weight of 384.47 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-formyl-4-methoxyphenyl)-3-(4-methoxy-2-methylphenyl)propanoate is sourced from PubChem (CID 10500239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).