4-[(2-formylphenoxy)methyl]-2-hydroxy-5-methoxybenzaldehyde

C16H14O5 — CID 57278060

IUPAC4-[(2-formylphenoxy)methyl]-2-hydroxy-5-methoxybenzaldehyde
SMILESCOc1cc(C=O)c(O)cc1COc1ccccc1C=O
InChIInChI=1S/C16H14O5/c1-20-16-7-12(9-18)14(19)6-13(16)10-21-15-5-3-2-4-11(15)8-17/h2-9,19H,10H2,1H3
InChIKeyZRXMYIBOSWMAFM-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.60
Rot. Bonds6

About 4-[(2-formylphenoxy)methyl]-2-hydroxy-5-methoxybenzaldehyde

4-[(2-formylphenoxy)methyl]-2-hydroxy-5-methoxybenzaldehyde (PubChem CID 57278060) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is 4-[(2-formylphenoxy)methyl]-2-hydroxy-5-methoxybenzaldehyde.

Molecular Properties

Compound Name4-[(2-formylphenoxy)methyl]-2-hydroxy-5-methoxybenzaldehyde
PubChem CID57278060
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name4-[(2-formylphenoxy)methyl]-2-hydroxy-5-methoxybenzaldehyde
SMILESCOc1cc(C=O)c(O)cc1COc1ccccc1C=O
InChIInChI=1S/C16H14O5/c1-20-16-7-12(9-18)14(19)6-13(16)10-21-15-5-3-2-4-11(15)8-17/h2-9,19H,10H2,1H3
InChIKeyZRXMYIBOSWMAFM-UHFFFAOYSA-N
XLogP2.60
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-bromo-2-methoxyphenyl)methoxy]benzaldehyde
CID 60710592
2-hydroxy-3-methoxybenzaldehyde
CID 8991
2-hydroxybenzaldehyde;2-methoxyaniline
CID 174410348
2-[(2-chlorophenyl)methoxy]benzaldehyde
CID 693298
2-[(2-fluorophenyl)methoxy]benzaldehyde
CID 2063523
2-hydroxy-3-methoxybenzaldehyde;methane
CID 165075137
copper;bis(2-hydroxy-3-methoxybenzaldehyde)
CID 50897387
carbanide;ethane;2-methoxybenzaldehyde;yttrium
CID 160914428
2-[4-(2-formylphenoxy)butoxy]benzaldehyde
CID 3090117
ethene;2-hydroxy-3-methoxybenzaldehyde
CID 175162627
methyl 2-(2-formylphenoxy)acetate
CID 5151625
2-[(4-methylphenyl)methoxy]benzaldehyde
CID 693304

Frequently Asked Questions

What is the IUPAC name of 4-[(2-formylphenoxy)methyl]-2-hydroxy-5-methoxybenzaldehyde?
The IUPAC name of 4-[(2-formylphenoxy)methyl]-2-hydroxy-5-methoxybenzaldehyde (CID 57278060) is 4-[(2-formylphenoxy)methyl]-2-hydroxy-5-methoxybenzaldehyde.
What is the SMILES notation for 4-[(2-formylphenoxy)methyl]-2-hydroxy-5-methoxybenzaldehyde?
The canonical SMILES for 4-[(2-formylphenoxy)methyl]-2-hydroxy-5-methoxybenzaldehyde is COc1cc(C=O)c(O)cc1COc1ccccc1C=O.
What is the InChIKey of 4-[(2-formylphenoxy)methyl]-2-hydroxy-5-methoxybenzaldehyde?
The InChIKey is ZRXMYIBOSWMAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5/c1-20-16-7-12(9-18)14(19)6-13(16)10-21-15-5-3-2-4-11(15)8-17/h2-9,19H,10H2,1H3.
What are the key properties of 4-[(2-formylphenoxy)methyl]-2-hydroxy-5-methoxybenzaldehyde?
4-[(2-formylphenoxy)methyl]-2-hydroxy-5-methoxybenzaldehyde has a molecular weight of 286.28 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-formylphenoxy)methyl]-2-hydroxy-5-methoxybenzaldehyde is sourced from PubChem (CID 57278060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).