2-methoxy-5-[tris(3-formyl-4-methoxyphenyl)methyl]benzaldehyde

C33H28O8 — CID 56838314

IUPAC2-methoxy-5-[tris(3-formyl-4-methoxyphenyl)methyl]benzaldehyde
SMILESCOc1ccc(C(c2ccc(OC)c(C=O)c2)(c2ccc(OC)c(C=O)c2)c2ccc(OC)c(C=O)c2)cc1C=O
InChIInChI=1S/C33H28O8/c1-38-29-9-5-25(13-21(29)17-34)33(26-6-10-30(39-2)22(14-26)18-35,27-7-11-31(40-3)23(15-27)19-36)28-8-12-32(41-4)24(16-28)20-37/h5-20H,1-4H3
InChIKeyGOVXHCRJGIBCGM-UHFFFAOYSA-N
MW552.58 g/mol
LogP5.35
Rot. Bonds12

About 2-methoxy-5-[tris(3-formyl-4-methoxyphenyl)methyl]benzaldehyde

2-methoxy-5-[tris(3-formyl-4-methoxyphenyl)methyl]benzaldehyde (PubChem CID 56838314) has the molecular formula C33H28O8 and a molecular weight of 552.58 g/mol. Its IUPAC name is 2-methoxy-5-[tris(3-formyl-4-methoxyphenyl)methyl]benzaldehyde.

Molecular Properties

Compound Name2-methoxy-5-[tris(3-formyl-4-methoxyphenyl)methyl]benzaldehyde
PubChem CID56838314
Molecular FormulaC33H28O8
Molecular Weight552.58 g/mol
Exact Mass552.18
IUPAC Name2-methoxy-5-[tris(3-formyl-4-methoxyphenyl)methyl]benzaldehyde
SMILESCOc1ccc(C(c2ccc(OC)c(C=O)c2)(c2ccc(OC)c(C=O)c2)c2ccc(OC)c(C=O)c2)cc1C=O
InChIInChI=1S/C33H28O8/c1-38-29-9-5-25(13-21(29)17-34)33(26-6-10-30(39-2)22(14-26)18-35,27-7-11-31(40-3)23(15-27)19-36)28-8-12-32(41-4)24(16-28)20-37/h5-20H,1-4H3
InChIKeyGOVXHCRJGIBCGM-UHFFFAOYSA-N
XLogP5.35
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.58
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-[bis(3-formyl-4-methoxyphenyl)-hydroxymethyl]-2-methoxybenzaldehyde
CID 71479368
2-methoxy-5-(2-methylbut-3-en-2-yl)benzaldehyde
CID 11333181
2-methoxy-5-(methylamino)benzaldehyde
CID 91654246
2,3-ditert-butyl-4-methoxybenzaldehyde
CID 174455576
5-(2,6-dimethoxyphenyl)-2-methoxybenzaldehyde
CID 116810898
5-(1-aminoethyl)-2-methoxybenzaldehyde
CID 105438045
3-formyl-4-methoxybenzenesulfinic acid
CID 138566967
3-formyl-4-methoxybenzamide
CID 23141386
ethane;2,4,5-trimethoxybenzaldehyde
CID 144606441
N-tert-butyl-3-formyl-4-methoxybenzenesulfonamide
CID 22007151
2-(hydroxymethyl)-2-methylpropane-1,3-diol;4-methoxybenzene-1,3-dicarbaldehyde
CID 174155559
2-(4-tert-butyl-2-formylphenoxy)acetonitrile
CID 151195831

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[tris(3-formyl-4-methoxyphenyl)methyl]benzaldehyde?
The IUPAC name of 2-methoxy-5-[tris(3-formyl-4-methoxyphenyl)methyl]benzaldehyde (CID 56838314) is 2-methoxy-5-[tris(3-formyl-4-methoxyphenyl)methyl]benzaldehyde.
What is the SMILES notation for 2-methoxy-5-[tris(3-formyl-4-methoxyphenyl)methyl]benzaldehyde?
The canonical SMILES for 2-methoxy-5-[tris(3-formyl-4-methoxyphenyl)methyl]benzaldehyde is COc1ccc(C(c2ccc(OC)c(C=O)c2)(c2ccc(OC)c(C=O)c2)c2ccc(OC)c(C=O)c2)cc1C=O.
What is the InChIKey of 2-methoxy-5-[tris(3-formyl-4-methoxyphenyl)methyl]benzaldehyde?
The InChIKey is GOVXHCRJGIBCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28O8/c1-38-29-9-5-25(13-21(29)17-34)33(26-6-10-30(39-2)22(14-26)18-35,27-7-11-31(40-3)23(15-27)19-36)28-8-12-32(41-4)24(16-28)20-37/h5-20H,1-4H3.
What are the key properties of 2-methoxy-5-[tris(3-formyl-4-methoxyphenyl)methyl]benzaldehyde?
2-methoxy-5-[tris(3-formyl-4-methoxyphenyl)methyl]benzaldehyde has a molecular weight of 552.58 g/mol, XLogP of 5.35, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[tris(3-formyl-4-methoxyphenyl)methyl]benzaldehyde is sourced from PubChem (CID 56838314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).