2-[[4-(hydroxymethyl)phenyl]methoxy]benzaldehyde

C15H14O3 — CID 110005164

IUPAC2-[[4-(hydroxymethyl)phenyl]methoxy]benzaldehyde
SMILESO=Cc1ccccc1OCc1ccc(CO)cc1
InChIInChI=1S/C15H14O3/c16-9-12-5-7-13(8-6-12)11-18-15-4-2-1-3-14(15)10-17/h1-8,10,16H,9,11H2
InChIKeyGBTGLMBAHKPIMK-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.57
Rot. Bonds5

About 2-[[4-(hydroxymethyl)phenyl]methoxy]benzaldehyde

2-[[4-(hydroxymethyl)phenyl]methoxy]benzaldehyde (PubChem CID 110005164) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-[[4-(hydroxymethyl)phenyl]methoxy]benzaldehyde.

Molecular Properties

Compound Name2-[[4-(hydroxymethyl)phenyl]methoxy]benzaldehyde
PubChem CID110005164
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name2-[[4-(hydroxymethyl)phenyl]methoxy]benzaldehyde
SMILESO=Cc1ccccc1OCc1ccc(CO)cc1
InChIInChI=1S/C15H14O3/c16-9-12-5-7-13(8-6-12)11-18-15-4-2-1-3-14(15)10-17/h1-8,10,16H,9,11H2
InChIKeyGBTGLMBAHKPIMK-UHFFFAOYSA-N
XLogP2.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.57
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-[(4-tert-butylphenyl)methoxy]benzaldehyde
CID 22359834
2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 60681232
ethyl 4-[(2-formylphenoxy)methyl]benzoate
CID 87464157
2-[(3,5-difluorophenyl)methoxy]benzaldehyde
CID 105403637
4-[(2-formylphenoxy)methyl]-N,N-dimethylbenzenesulfonamide
CID 10860151
[4-[(2-propoxyphenoxy)methyl]phenyl]methanol
CID 115969538
2-[4-(2-formylphenoxy)butoxy]benzaldehyde
CID 3090117
2-(4-hydroxybutoxy)benzaldehyde
CID 60773519
2-(pyridin-3-ylmethoxy)benzaldehyde
CID 6485567
2-hydroxy-3-[(4-methylphenyl)methoxy]benzaldehyde
CID 143713243
[4-[[2-(hydroxyamino)phenoxy]methyl]phenyl]methanol
CID 176989777

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(hydroxymethyl)phenyl]methoxy]benzaldehyde?
The IUPAC name of 2-[[4-(hydroxymethyl)phenyl]methoxy]benzaldehyde (CID 110005164) is 2-[[4-(hydroxymethyl)phenyl]methoxy]benzaldehyde.
What is the SMILES notation for 2-[[4-(hydroxymethyl)phenyl]methoxy]benzaldehyde?
The canonical SMILES for 2-[[4-(hydroxymethyl)phenyl]methoxy]benzaldehyde is O=Cc1ccccc1OCc1ccc(CO)cc1.
What is the InChIKey of 2-[[4-(hydroxymethyl)phenyl]methoxy]benzaldehyde?
The InChIKey is GBTGLMBAHKPIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c16-9-12-5-7-13(8-6-12)11-18-15-4-2-1-3-14(15)10-17/h1-8,10,16H,9,11H2.
What are the key properties of 2-[[4-(hydroxymethyl)phenyl]methoxy]benzaldehyde?
2-[[4-(hydroxymethyl)phenyl]methoxy]benzaldehyde has a molecular weight of 242.27 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(hydroxymethyl)phenyl]methoxy]benzaldehyde is sourced from PubChem (CID 110005164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).