4-[(Z)-4-(4-formyl-2-methoxyphenoxy)but-2-enoxy]-3-methoxybenzaldehyde

C20H20O6 — CID 53375790

IUPAC4-[(Z)-4-(4-formyl-2-methoxyphenoxy)but-2-enoxy]-3-methoxybenzaldehyde
SMILESCOc1cc(C=O)ccc1OC/C=C\COc1ccc(C=O)cc1OC
InChIInChI=1S/C20H20O6/c1-23-19-11-15(13-21)5-7-17(19)25-9-3-4-10-26-18-8-6-16(14-22)12-20(18)24-2/h3-8,11-14H,9-10H2,1-2H3/b4-3-
InChIKeyLEASYIABEPAUFJ-ARJAWSKDSA-N
MW356.37 g/mol
LogP3.34
Rot. Bonds10

About 4-[(Z)-4-(4-formyl-2-methoxyphenoxy)but-2-enoxy]-3-methoxybenzaldehyde

4-[(Z)-4-(4-formyl-2-methoxyphenoxy)but-2-enoxy]-3-methoxybenzaldehyde (PubChem CID 53375790) has the molecular formula C20H20O6 and a molecular weight of 356.37 g/mol. Its IUPAC name is 4-[(Z)-4-(4-formyl-2-methoxyphenoxy)but-2-enoxy]-3-methoxybenzaldehyde.

Molecular Properties

Compound Name4-[(Z)-4-(4-formyl-2-methoxyphenoxy)but-2-enoxy]-3-methoxybenzaldehyde
PubChem CID53375790
Molecular FormulaC20H20O6
Molecular Weight356.37 g/mol
Exact Mass356.13
IUPAC Name4-[(Z)-4-(4-formyl-2-methoxyphenoxy)but-2-enoxy]-3-methoxybenzaldehyde
SMILESCOc1cc(C=O)ccc1OC/C=C\COc1ccc(C=O)cc1OC
InChIInChI=1S/C20H20O6/c1-23-19-11-15(13-21)5-7-17(19)25-9-3-4-10-26-18-8-6-16(14-22)12-20(18)24-2/h3-8,11-14H,9-10H2,1-2H3/b4-3-
InChIKeyLEASYIABEPAUFJ-ARJAWSKDSA-N
XLogP3.34
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[12-(4-formyl-2-methoxyphenoxy)dodecoxy]-3-methoxybenzaldehyde
CID 101048187
4-(2-hydroxyethoxy)-3-methoxybenzaldehyde
CID 3152712
3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 3738735
4-[(E)-4-(4-butanoyl-3-hydroxy-2-methylphenoxy)but-2-enoxy]-3-methoxybenzaldehyde
CID 168958504
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
methyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 882523
deuterium monohydride;3-methoxy-4-(2-oxoethoxy)benzaldehyde;phenol
CID 157082328
(4-formyl-2-methoxyphenyl) methanesulfonate
CID 3650004
3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde
CID 174683420
4-(2-ethoxy-4-formylphenoxy)-3-methoxybenzaldehyde
CID 174408807
4-(8-hydroxyoctoxy)-3-methoxybenzaldehyde
CID 59839085
4-(3-azidopropoxy)-3-methoxybenzaldehyde
CID 54769990

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-4-(4-formyl-2-methoxyphenoxy)but-2-enoxy]-3-methoxybenzaldehyde?
The IUPAC name of 4-[(Z)-4-(4-formyl-2-methoxyphenoxy)but-2-enoxy]-3-methoxybenzaldehyde (CID 53375790) is 4-[(Z)-4-(4-formyl-2-methoxyphenoxy)but-2-enoxy]-3-methoxybenzaldehyde.
What is the SMILES notation for 4-[(Z)-4-(4-formyl-2-methoxyphenoxy)but-2-enoxy]-3-methoxybenzaldehyde?
The canonical SMILES for 4-[(Z)-4-(4-formyl-2-methoxyphenoxy)but-2-enoxy]-3-methoxybenzaldehyde is COc1cc(C=O)ccc1OC/C=C\COc1ccc(C=O)cc1OC.
What is the InChIKey of 4-[(Z)-4-(4-formyl-2-methoxyphenoxy)but-2-enoxy]-3-methoxybenzaldehyde?
The InChIKey is LEASYIABEPAUFJ-ARJAWSKDSA-N. The full InChI is InChI=1S/C20H20O6/c1-23-19-11-15(13-21)5-7-17(19)25-9-3-4-10-26-18-8-6-16(14-22)12-20(18)24-2/h3-8,11-14H,9-10H2,1-2H3/b4-3-.
What are the key properties of 4-[(Z)-4-(4-formyl-2-methoxyphenoxy)but-2-enoxy]-3-methoxybenzaldehyde?
4-[(Z)-4-(4-formyl-2-methoxyphenoxy)but-2-enoxy]-3-methoxybenzaldehyde has a molecular weight of 356.37 g/mol, XLogP of 3.34, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-4-(4-formyl-2-methoxyphenoxy)but-2-enoxy]-3-methoxybenzaldehyde is sourced from PubChem (CID 53375790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).