4-methoxy-2,5-dimethyl-3-phenylmethoxybenzaldehyde

C17H18O3 — CID 142270247

IUPAC4-methoxy-2,5-dimethyl-3-phenylmethoxybenzaldehyde
SMILESCOc1c(C)cc(C=O)c(C)c1OCc1ccccc1
InChIInChI=1S/C17H18O3/c1-12-9-15(10-18)13(2)17(16(12)19-3)20-11-14-7-5-4-6-8-14/h4-10H,11H2,1-3H3
InChIKeyIYPGHDOLKHRPPF-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.70
Rot. Bonds5

About 4-methoxy-2,5-dimethyl-3-phenylmethoxybenzaldehyde

4-methoxy-2,5-dimethyl-3-phenylmethoxybenzaldehyde (PubChem CID 142270247) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-methoxy-2,5-dimethyl-3-phenylmethoxybenzaldehyde.

Molecular Properties

Compound Name4-methoxy-2,5-dimethyl-3-phenylmethoxybenzaldehyde
PubChem CID142270247
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name4-methoxy-2,5-dimethyl-3-phenylmethoxybenzaldehyde
SMILESCOc1c(C)cc(C=O)c(C)c1OCc1ccccc1
InChIInChI=1S/C17H18O3/c1-12-9-15(10-18)13(2)17(16(12)19-3)20-11-14-7-5-4-6-8-14/h4-10H,11H2,1-3H3
InChIKeyIYPGHDOLKHRPPF-UHFFFAOYSA-N
XLogP3.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-4-methyl-5-phenylmethoxybenzaldehyde
CID 71394668
2-bromo-4-methyl-3-phenylmethoxybenzaldehyde
CID 170399941
2,3,5,6-tetramethyl-4-phenylmethoxybenzaldehyde
CID 71408995
potassium;3-methoxy-2-phenylmethoxybenzaldehyde;hydroxide
CID 160863194
3,4,6-trimethoxy-2-phenylmethoxybenzaldehyde
CID 57327464
2,4,5-trimethyl-3,6-bis(phenylmethoxy)benzaldehyde
CID 86653777
2-amino-3-methoxy-4-phenylmethoxybenzaldehyde
CID 137428196
phenyl 4-formyl-3-methoxy-2-methyl-6-phenylmethoxybenzoate
CID 126598255
3-(5-formyl-3-methoxy-2-phenylmethoxyphenoxy)-5-methoxy-4-phenylmethoxybenzaldehyde
CID 102236097
2-hydroxy-3-methylbenzaldehyde;3-methyl-2-phenylmethoxybenzaldehyde
CID 158370416
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
4-methoxy-1-methyl-3,5-diphenyl-2-phenylmethoxybenzene
CID 173306143

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,5-dimethyl-3-phenylmethoxybenzaldehyde?
The IUPAC name of 4-methoxy-2,5-dimethyl-3-phenylmethoxybenzaldehyde (CID 142270247) is 4-methoxy-2,5-dimethyl-3-phenylmethoxybenzaldehyde.
What is the SMILES notation for 4-methoxy-2,5-dimethyl-3-phenylmethoxybenzaldehyde?
The canonical SMILES for 4-methoxy-2,5-dimethyl-3-phenylmethoxybenzaldehyde is COc1c(C)cc(C=O)c(C)c1OCc1ccccc1.
What is the InChIKey of 4-methoxy-2,5-dimethyl-3-phenylmethoxybenzaldehyde?
The InChIKey is IYPGHDOLKHRPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-12-9-15(10-18)13(2)17(16(12)19-3)20-11-14-7-5-4-6-8-14/h4-10H,11H2,1-3H3.
What are the key properties of 4-methoxy-2,5-dimethyl-3-phenylmethoxybenzaldehyde?
4-methoxy-2,5-dimethyl-3-phenylmethoxybenzaldehyde has a molecular weight of 270.33 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,5-dimethyl-3-phenylmethoxybenzaldehyde is sourced from PubChem (CID 142270247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).