2-[1-phenyl-2-(2,3,4,5-tetramethoxy-6-methylphenyl)ethoxy]benzaldehyde

C26H28O6 — CID 139994575

IUPAC2-[1-phenyl-2-(2,3,4,5-tetramethoxy-6-methylphenyl)ethoxy]benzaldehyde
SMILESCOc1c(C)c(CC(Oc2ccccc2C=O)c2ccccc2)c(OC)c(OC)c1OC
InChIInChI=1S/C26H28O6/c1-17-20(24(29-3)26(31-5)25(30-4)23(17)28-2)15-22(18-11-7-6-8-12-18)32-21-14-10-9-13-19(21)16-27/h6-14,16,22H,15H2,1-5H3
InChIKeyVMBJQHFBPLQMDL-UHFFFAOYSA-N
MW436.50 g/mol
LogP5.20
Rot. Bonds10

About 2-[1-phenyl-2-(2,3,4,5-tetramethoxy-6-methylphenyl)ethoxy]benzaldehyde

2-[1-phenyl-2-(2,3,4,5-tetramethoxy-6-methylphenyl)ethoxy]benzaldehyde (PubChem CID 139994575) has the molecular formula C26H28O6 and a molecular weight of 436.50 g/mol. Its IUPAC name is 2-[1-phenyl-2-(2,3,4,5-tetramethoxy-6-methylphenyl)ethoxy]benzaldehyde.

Molecular Properties

Compound Name2-[1-phenyl-2-(2,3,4,5-tetramethoxy-6-methylphenyl)ethoxy]benzaldehyde
PubChem CID139994575
Molecular FormulaC26H28O6
Molecular Weight436.50 g/mol
Exact Mass436.19
IUPAC Name2-[1-phenyl-2-(2,3,4,5-tetramethoxy-6-methylphenyl)ethoxy]benzaldehyde
SMILESCOc1c(C)c(CC(Oc2ccccc2C=O)c2ccccc2)c(OC)c(OC)c1OC
InChIInChI=1S/C26H28O6/c1-17-20(24(29-3)26(31-5)25(30-4)23(17)28-2)15-22(18-11-7-6-8-12-18)32-21-14-10-9-13-19(21)16-27/h6-14,16,22H,15H2,1-5H3
InChIKeyVMBJQHFBPLQMDL-UHFFFAOYSA-N
XLogP5.20
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.50
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(2-formylphenoxy)-2-phenylacetate
CID 15741875
methyl 2-(2-formylphenoxy)-2-phenylacetate
CID 87797080
2-(2-phenylethyl)-5-[(2,3,4,5-tetramethoxy-6-methylphenyl)methyl]benzaldehyde
CID 58716566
carbanide;ethane;2-methoxybenzaldehyde;yttrium
CID 160914428
2-[4-(2-formylphenoxy)butoxy]benzaldehyde
CID 3090117
2-methoxy-3-(2-methylphenoxy)benzaldehyde
CID 13066662
ethyl 2-fluoro-2-(2-formylphenoxy)acetate
CID 146450641
2-(2-formylphenoxy)butanamide
CID 62900622
ethyl (2R)-2-(3-formyl-2-methoxyphenoxy)propanoate
CID 95239892
1-methoxy-2-[(1R)-2-methoxy-1-phenylethoxy]benzene
CID 139888612
2-(2-methoxyphenyl)sulfanylbenzaldehyde
CID 12946428
3-benzylsulfanyl-2-methoxybenzaldehyde
CID 177043048

Frequently Asked Questions

What is the IUPAC name of 2-[1-phenyl-2-(2,3,4,5-tetramethoxy-6-methylphenyl)ethoxy]benzaldehyde?
The IUPAC name of 2-[1-phenyl-2-(2,3,4,5-tetramethoxy-6-methylphenyl)ethoxy]benzaldehyde (CID 139994575) is 2-[1-phenyl-2-(2,3,4,5-tetramethoxy-6-methylphenyl)ethoxy]benzaldehyde.
What is the SMILES notation for 2-[1-phenyl-2-(2,3,4,5-tetramethoxy-6-methylphenyl)ethoxy]benzaldehyde?
The canonical SMILES for 2-[1-phenyl-2-(2,3,4,5-tetramethoxy-6-methylphenyl)ethoxy]benzaldehyde is COc1c(C)c(CC(Oc2ccccc2C=O)c2ccccc2)c(OC)c(OC)c1OC.
What is the InChIKey of 2-[1-phenyl-2-(2,3,4,5-tetramethoxy-6-methylphenyl)ethoxy]benzaldehyde?
The InChIKey is VMBJQHFBPLQMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O6/c1-17-20(24(29-3)26(31-5)25(30-4)23(17)28-2)15-22(18-11-7-6-8-12-18)32-21-14-10-9-13-19(21)16-27/h6-14,16,22H,15H2,1-5H3.
What are the key properties of 2-[1-phenyl-2-(2,3,4,5-tetramethoxy-6-methylphenyl)ethoxy]benzaldehyde?
2-[1-phenyl-2-(2,3,4,5-tetramethoxy-6-methylphenyl)ethoxy]benzaldehyde has a molecular weight of 436.50 g/mol, XLogP of 5.20, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-phenyl-2-(2,3,4,5-tetramethoxy-6-methylphenyl)ethoxy]benzaldehyde is sourced from PubChem (CID 139994575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).