2-[2-[(2-formyl-4-methylphenoxy)methyl]prop-2-enoxy]-5-methylbenzaldehyde

C20H20O4 — CID 15536551

IUPAC2-[2-[(2-formyl-4-methylphenoxy)methyl]prop-2-enoxy]-5-methylbenzaldehyde
SMILESC=C(COc1ccc(C)cc1C=O)COc1ccc(C)cc1C=O
InChIInChI=1S/C20H20O4/c1-14-4-6-19(17(8-14)10-21)23-12-16(3)13-24-20-7-5-15(2)9-18(20)11-22/h4-11H,3,12-13H2,1-2H3
InChIKeyMMGBFEHZSNPFHQ-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.94
Rot. Bonds8

About 2-[2-[(2-formyl-4-methylphenoxy)methyl]prop-2-enoxy]-5-methylbenzaldehyde

2-[2-[(2-formyl-4-methylphenoxy)methyl]prop-2-enoxy]-5-methylbenzaldehyde (PubChem CID 15536551) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[2-[(2-formyl-4-methylphenoxy)methyl]prop-2-enoxy]-5-methylbenzaldehyde.

Molecular Properties

Compound Name2-[2-[(2-formyl-4-methylphenoxy)methyl]prop-2-enoxy]-5-methylbenzaldehyde
PubChem CID15536551
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name2-[2-[(2-formyl-4-methylphenoxy)methyl]prop-2-enoxy]-5-methylbenzaldehyde
SMILESC=C(COc1ccc(C)cc1C=O)COc1ccc(C)cc1C=O
InChIInChI=1S/C20H20O4/c1-14-4-6-19(17(8-14)10-21)23-12-16(3)13-24-20-7-5-15(2)9-18(20)11-22/h4-11H,3,12-13H2,1-2H3
InChIKeyMMGBFEHZSNPFHQ-UHFFFAOYSA-N
XLogP3.94
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-[(2-formyl-4-methylphenoxy)methyl]prop-2-enoxy]-5-methylbenzaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

Flavanone
CID 10251
Flavone
CID 10680
Ipriflavone
CID 3747
4-Ethoxybenzaldehyde
CID 24834
2-Methoxybenzaldehyde
CID 8658
4'-Methoxyflavone
CID 77793
Isoxepac
CID 41448
Methyl acetylsalicylic acid
CID 68484
Acetylsalicylsalicylic acid
CID 10745
2'-Hydroxy-4-methoxychalcone
CID 5331295
Benzaldehyde, 2-ethoxy-
CID 11950
4'-Methoxyflavanone
CID 102928

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-formyl-4-methylphenoxy)methyl]prop-2-enoxy]-5-methylbenzaldehyde?
The IUPAC name of 2-[2-[(2-formyl-4-methylphenoxy)methyl]prop-2-enoxy]-5-methylbenzaldehyde (CID 15536551) is 2-[2-[(2-formyl-4-methylphenoxy)methyl]prop-2-enoxy]-5-methylbenzaldehyde.
What is the SMILES notation for 2-[2-[(2-formyl-4-methylphenoxy)methyl]prop-2-enoxy]-5-methylbenzaldehyde?
The canonical SMILES for 2-[2-[(2-formyl-4-methylphenoxy)methyl]prop-2-enoxy]-5-methylbenzaldehyde is C=C(COc1ccc(C)cc1C=O)COc1ccc(C)cc1C=O.
What is the InChIKey of 2-[2-[(2-formyl-4-methylphenoxy)methyl]prop-2-enoxy]-5-methylbenzaldehyde?
The InChIKey is MMGBFEHZSNPFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4/c1-14-4-6-19(17(8-14)10-21)23-12-16(3)13-24-20-7-5-15(2)9-18(20)11-22/h4-11H,3,12-13H2,1-2H3.
What are the key properties of 2-[2-[(2-formyl-4-methylphenoxy)methyl]prop-2-enoxy]-5-methylbenzaldehyde?
2-[2-[(2-formyl-4-methylphenoxy)methyl]prop-2-enoxy]-5-methylbenzaldehyde has a molecular weight of 324.38 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-formyl-4-methylphenoxy)methyl]prop-2-enoxy]-5-methylbenzaldehyde is sourced from PubChem (CID 15536551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).