2-hydroxy-3-[(4-methylphenyl)methoxy]benzaldehyde

C15H14O3 — CID 143713243

IUPAC2-hydroxy-3-[(4-methylphenyl)methoxy]benzaldehyde
SMILESCc1ccc(COc2cccc(C=O)c2O)cc1
InChIInChI=1S/C15H14O3/c1-11-5-7-12(8-6-11)10-18-14-4-2-3-13(9-16)15(14)17/h2-9,17H,10H2,1H3
InChIKeyZFFVKJGQGHYETE-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.09
Rot. Bonds4

About 2-hydroxy-3-[(4-methylphenyl)methoxy]benzaldehyde

2-hydroxy-3-[(4-methylphenyl)methoxy]benzaldehyde (PubChem CID 143713243) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-hydroxy-3-[(4-methylphenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-3-[(4-methylphenyl)methoxy]benzaldehyde
PubChem CID143713243
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name2-hydroxy-3-[(4-methylphenyl)methoxy]benzaldehyde
SMILESCc1ccc(COc2cccc(C=O)c2O)cc1
InChIInChI=1S/C15H14O3/c1-11-5-7-12(8-6-11)10-18-14-4-2-3-13(9-16)15(14)17/h2-9,17H,10H2,1H3
InChIKeyZFFVKJGQGHYETE-UHFFFAOYSA-N
XLogP3.09
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methylphenyl)methoxy]benzaldehyde
CID 693304
2-hydroxy-3-methoxybenzaldehyde
CID 8991
2-[[4-(hydroxymethyl)phenyl]methoxy]benzaldehyde
CID 110005164
2-amino-3-[(4-methylphenyl)methoxy]phenol
CID 114764418
2-hydroxy-3-methoxybenzaldehyde;methane
CID 165075137
copper;bis(2-hydroxy-3-methoxybenzaldehyde)
CID 50897387
5-chloro-2-[(4-methylphenyl)methoxy]benzaldehyde
CID 892242
2-hydroxy-3-methylbenzaldehyde;3-methyl-2-phenylmethoxybenzaldehyde
CID 158370416
2-[(4-tert-butylphenyl)methoxy]benzaldehyde
CID 22359834
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
2-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]benzaldehyde
CID 102347712
ethyl 4-[(2-formylphenoxy)methyl]benzoate
CID 87464157

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(4-methylphenyl)methoxy]benzaldehyde?
The IUPAC name of 2-hydroxy-3-[(4-methylphenyl)methoxy]benzaldehyde (CID 143713243) is 2-hydroxy-3-[(4-methylphenyl)methoxy]benzaldehyde.
What is the SMILES notation for 2-hydroxy-3-[(4-methylphenyl)methoxy]benzaldehyde?
The canonical SMILES for 2-hydroxy-3-[(4-methylphenyl)methoxy]benzaldehyde is Cc1ccc(COc2cccc(C=O)c2O)cc1.
What is the InChIKey of 2-hydroxy-3-[(4-methylphenyl)methoxy]benzaldehyde?
The InChIKey is ZFFVKJGQGHYETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-11-5-7-12(8-6-11)10-18-14-4-2-3-13(9-16)15(14)17/h2-9,17H,10H2,1H3.
What are the key properties of 2-hydroxy-3-[(4-methylphenyl)methoxy]benzaldehyde?
2-hydroxy-3-[(4-methylphenyl)methoxy]benzaldehyde has a molecular weight of 242.27 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(4-methylphenyl)methoxy]benzaldehyde is sourced from PubChem (CID 143713243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).