3,5-bis(methoxymethoxy)-4-[(Z)-3-phenylprop-2-enyl]benzaldehyde

C20H22O5 — CID 59560058

IUPAC3,5-bis(methoxymethoxy)-4-[(Z)-3-phenylprop-2-enyl]benzaldehyde
SMILESCOCOc1cc(C=O)cc(OCOC)c1C/C=C\c1ccccc1
InChIInChI=1S/C20H22O5/c1-22-14-24-19-11-17(13-21)12-20(25-15-23-2)18(19)10-6-9-16-7-4-3-5-8-16/h3-9,11-13H,10,14-15H2,1-2H3/b9-6-
InChIKeyPAYMIGASZRNMLY-TWGQIWQCSA-N
MW342.39 g/mol
LogP3.72
Rot. Bonds10

About 3,5-bis(methoxymethoxy)-4-[(Z)-3-phenylprop-2-enyl]benzaldehyde

3,5-bis(methoxymethoxy)-4-[(Z)-3-phenylprop-2-enyl]benzaldehyde (PubChem CID 59560058) has the molecular formula C20H22O5 and a molecular weight of 342.39 g/mol. Its IUPAC name is 3,5-bis(methoxymethoxy)-4-[(Z)-3-phenylprop-2-enyl]benzaldehyde.

Molecular Properties

Compound Name3,5-bis(methoxymethoxy)-4-[(Z)-3-phenylprop-2-enyl]benzaldehyde
PubChem CID59560058
Molecular FormulaC20H22O5
Molecular Weight342.39 g/mol
Exact Mass342.15
IUPAC Name3,5-bis(methoxymethoxy)-4-[(Z)-3-phenylprop-2-enyl]benzaldehyde
SMILESCOCOc1cc(C=O)cc(OCOC)c1C/C=C\c1ccccc1
InChIInChI=1S/C20H22O5/c1-22-14-24-19-11-17(13-21)12-20(25-15-23-2)18(19)10-6-9-16-7-4-3-5-8-16/h3-9,11-13H,10,14-15H2,1-2H3/b9-6-
InChIKeyPAYMIGASZRNMLY-TWGQIWQCSA-N
XLogP3.72
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(methoxymethoxy)-5-methyl-4-[(E)-3-phenylprop-2-enyl]benzoic acid
CID 58146244
3,4-bis(methoxymethoxy)benzaldehyde
CID 11746314
4-methoxy-3-(methoxymethoxy)-5-methylbenzaldehyde
CID 59773278
3-iodo-5-methoxy-4-(3-phenylprop-2-enoxy)benzaldehyde
CID 2975320
4-fluoro-3-(methoxymethoxy)benzaldehyde
CID 23143885
3-methoxy-4-(methoxymethoxy)-5-methylbenzaldehyde
CID 89120820
5,8-dimethoxy-4-(methoxymethoxy)naphthalene-2-carbaldehyde
CID 11334863
4-(methoxymethoxy)-3-[(4-phenoxyphenyl)methyl]benzaldehyde
CID 86235408
4-methoxy-2-(methoxymethoxy)-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]benzene
CID 10781559
5-methyl-6-[(E)-3-phenylprop-2-enoxy]pyridine-3-carbaldehyde
CID 80631745
3,4-bis(methoxymethoxy)-5-(3-methylbut-2-enyl)benzaldehyde
CID 57480623
4-(4-phenylbuta-1,3-dienyl)benzaldehyde
CID 71360938

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(methoxymethoxy)-4-[(Z)-3-phenylprop-2-enyl]benzaldehyde?
The IUPAC name of 3,5-bis(methoxymethoxy)-4-[(Z)-3-phenylprop-2-enyl]benzaldehyde (CID 59560058) is 3,5-bis(methoxymethoxy)-4-[(Z)-3-phenylprop-2-enyl]benzaldehyde.
What is the SMILES notation for 3,5-bis(methoxymethoxy)-4-[(Z)-3-phenylprop-2-enyl]benzaldehyde?
The canonical SMILES for 3,5-bis(methoxymethoxy)-4-[(Z)-3-phenylprop-2-enyl]benzaldehyde is COCOc1cc(C=O)cc(OCOC)c1C/C=C\c1ccccc1.
What is the InChIKey of 3,5-bis(methoxymethoxy)-4-[(Z)-3-phenylprop-2-enyl]benzaldehyde?
The InChIKey is PAYMIGASZRNMLY-TWGQIWQCSA-N. The full InChI is InChI=1S/C20H22O5/c1-22-14-24-19-11-17(13-21)12-20(25-15-23-2)18(19)10-6-9-16-7-4-3-5-8-16/h3-9,11-13H,10,14-15H2,1-2H3/b9-6-.
What are the key properties of 3,5-bis(methoxymethoxy)-4-[(Z)-3-phenylprop-2-enyl]benzaldehyde?
3,5-bis(methoxymethoxy)-4-[(Z)-3-phenylprop-2-enyl]benzaldehyde has a molecular weight of 342.39 g/mol, XLogP of 3.72, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(methoxymethoxy)-4-[(Z)-3-phenylprop-2-enyl]benzaldehyde is sourced from PubChem (CID 59560058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).