3-[(4-methoxyphenyl)methoxy]benzaldehyde

C15H14O3 — CID 14972990

IUPAC3-[(4-methoxyphenyl)methoxy]benzaldehyde
SMILESCOc1ccc(COc2cccc(C=O)c2)cc1
InChIInChI=1S/C15H14O3/c1-17-14-7-5-12(6-8-14)11-18-15-4-2-3-13(9-15)10-16/h2-10H,11H2,1H3
InChIKeyHWELTAFCGOYYBE-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.09
Rot. Bonds5

About 3-[(4-methoxyphenyl)methoxy]benzaldehyde

3-[(4-methoxyphenyl)methoxy]benzaldehyde (PubChem CID 14972990) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methoxy]benzaldehyde
PubChem CID14972990
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name3-[(4-methoxyphenyl)methoxy]benzaldehyde
SMILESCOc1ccc(COc2cccc(C=O)c2)cc1
InChIInChI=1S/C15H14O3/c1-17-14-7-5-12(6-8-14)11-18-15-4-2-3-13(9-15)10-16/h2-10H,11H2,1H3
InChIKeyHWELTAFCGOYYBE-UHFFFAOYSA-N
XLogP3.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.09
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

4-methylbenzaldehyde;3-[(4-methylphenyl)methoxy]benzaldehyde
CID 161145970
3-[(4-methoxy-3-phenylmethoxyphenyl)methoxy]benzaldehyde
CID 11484837
3-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde
CID 11156824
5-[(4-methoxyphenyl)methoxy]pyridine-3-carbaldehyde
CID 113469448
4-[(4-methoxyphenyl)methoxy]-3,5-dimethylbenzaldehyde
CID 28880560
3-formyl-5-[(4-methoxyphenyl)methoxy]benzonitrile
CID 87548973
2-chloro-4-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 89247022
2-bromo-5-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 58990542
3-[(4-hydroxy-3-methylsulfanylphenyl)methoxy]benzaldehyde
CID 88610962
4-[(4-methoxyphenyl)methoxy]-2,6-dimethylbenzaldehyde
CID 89075943
4-[(3-formylphenoxy)methyl]-N-methyl-N-phenylbenzamide
CID 139661611
3-[(2-bromo-4,5-dimethoxyphenyl)methoxy]benzaldehyde
CID 9368529

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methoxy]benzaldehyde?
The IUPAC name of 3-[(4-methoxyphenyl)methoxy]benzaldehyde (CID 14972990) is 3-[(4-methoxyphenyl)methoxy]benzaldehyde.
What is the SMILES notation for 3-[(4-methoxyphenyl)methoxy]benzaldehyde?
The canonical SMILES for 3-[(4-methoxyphenyl)methoxy]benzaldehyde is COc1ccc(COc2cccc(C=O)c2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methoxy]benzaldehyde?
The InChIKey is HWELTAFCGOYYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-17-14-7-5-12(6-8-14)11-18-15-4-2-3-13(9-15)10-16/h2-10H,11H2,1H3.
What are the key properties of 3-[(4-methoxyphenyl)methoxy]benzaldehyde?
3-[(4-methoxyphenyl)methoxy]benzaldehyde has a molecular weight of 242.27 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methoxy]benzaldehyde is sourced from PubChem (CID 14972990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).