3-(3-methoxyphenoxy)-4-methylbenzaldehyde

C15H14O3 — CID 105405411

IUPAC3-(3-methoxyphenoxy)-4-methylbenzaldehyde
SMILESCOc1cccc(Oc2cc(C=O)ccc2C)c1
InChIInChI=1S/C15H14O3/c1-11-6-7-12(10-16)8-15(11)18-14-5-3-4-13(9-14)17-2/h3-10H,1-2H3
InChIKeyAAOQITGLOYTIIB-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.61
Rot. Bonds4

About 3-(3-methoxyphenoxy)-4-methylbenzaldehyde

3-(3-methoxyphenoxy)-4-methylbenzaldehyde (PubChem CID 105405411) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 3-(3-methoxyphenoxy)-4-methylbenzaldehyde.

Molecular Properties

Compound Name3-(3-methoxyphenoxy)-4-methylbenzaldehyde
PubChem CID105405411
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name3-(3-methoxyphenoxy)-4-methylbenzaldehyde
SMILESCOc1cccc(Oc2cc(C=O)ccc2C)c1
InChIInChI=1S/C15H14O3/c1-11-6-7-12(10-16)8-15(11)18-14-5-3-4-13(9-14)17-2/h3-10H,1-2H3
InChIKeyAAOQITGLOYTIIB-UHFFFAOYSA-N
XLogP3.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.61
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-(3,5-dimethoxyphenoxy)-3-methylbenzaldehyde
CID 62122305
3-(3,5-dimethoxyphenoxy)benzaldehyde
CID 63944242
3-(2,5-dimethylphenoxy)-4-methylbenzaldehyde
CID 105405428
4-(3-chlorophenoxy)-3-methoxybenzaldehyde
CID 141471481
3-(6-bromonaphthalen-2-yl)oxy-4-methylbenzaldehyde
CID 105405451
4-methoxy-2-(3-methoxyphenoxy)benzaldehyde
CID 122403845
4-methyl-3-(4-propan-2-ylphenoxy)benzaldehyde
CID 105405402
4-methyl-3-(4-propoxyphenoxy)benzaldehyde
CID 105405469
4-(5-formyl-2-methylphenoxy)-3,5-dimethylbenzonitrile
CID 105405600
3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzaldehyde
CID 105405596
3-(4-formyl-2-methylphenoxy)benzonitrile
CID 62121795
5-bromo-2-(3-methoxyphenoxy)benzaldehyde
CID 114061306

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenoxy)-4-methylbenzaldehyde?
The IUPAC name of 3-(3-methoxyphenoxy)-4-methylbenzaldehyde (CID 105405411) is 3-(3-methoxyphenoxy)-4-methylbenzaldehyde.
What is the SMILES notation for 3-(3-methoxyphenoxy)-4-methylbenzaldehyde?
The canonical SMILES for 3-(3-methoxyphenoxy)-4-methylbenzaldehyde is COc1cccc(Oc2cc(C=O)ccc2C)c1.
What is the InChIKey of 3-(3-methoxyphenoxy)-4-methylbenzaldehyde?
The InChIKey is AAOQITGLOYTIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-11-6-7-12(10-16)8-15(11)18-14-5-3-4-13(9-14)17-2/h3-10H,1-2H3.
What are the key properties of 3-(3-methoxyphenoxy)-4-methylbenzaldehyde?
3-(3-methoxyphenoxy)-4-methylbenzaldehyde has a molecular weight of 242.27 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenoxy)-4-methylbenzaldehyde is sourced from PubChem (CID 105405411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).