3-[(3-methylphenyl)methoxy]benzaldehyde

C15H14O2 — CID 3778700

IUPAC3-[(3-methylphenyl)methoxy]benzaldehyde
SMILESCc1cccc(COc2cccc(C=O)c2)c1
InChIInChI=1S/C15H14O2/c1-12-4-2-6-14(8-12)11-17-15-7-3-5-13(9-15)10-16/h2-10H,11H2,1H3
InChIKeyKUBQGVFWIDMJLR-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.39
Rot. Bonds4

About 3-[(3-methylphenyl)methoxy]benzaldehyde

3-[(3-methylphenyl)methoxy]benzaldehyde (PubChem CID 3778700) has the molecular formula C15H14O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-[(3-methylphenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-[(3-methylphenyl)methoxy]benzaldehyde
PubChem CID3778700
Molecular FormulaC15H14O2
Molecular Weight226.28 g/mol
Exact Mass226.10
IUPAC Name3-[(3-methylphenyl)methoxy]benzaldehyde
SMILESCc1cccc(COc2cccc(C=O)c2)c1
InChIInChI=1S/C15H14O2/c1-12-4-2-6-14(8-12)11-17-15-7-3-5-13(9-15)10-16/h2-10H,11H2,1H3
InChIKeyKUBQGVFWIDMJLR-UHFFFAOYSA-N
XLogP3.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenyl)methoxy]benzaldehyde?
The IUPAC name of 3-[(3-methylphenyl)methoxy]benzaldehyde (CID 3778700) is 3-[(3-methylphenyl)methoxy]benzaldehyde.
What is the SMILES notation for 3-[(3-methylphenyl)methoxy]benzaldehyde?
The canonical SMILES for 3-[(3-methylphenyl)methoxy]benzaldehyde is Cc1cccc(COc2cccc(C=O)c2)c1.
What is the InChIKey of 3-[(3-methylphenyl)methoxy]benzaldehyde?
The InChIKey is KUBQGVFWIDMJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c1-12-4-2-6-14(8-12)11-17-15-7-3-5-13(9-15)10-16/h2-10H,11H2,1H3.
What are the key properties of 3-[(3-methylphenyl)methoxy]benzaldehyde?
3-[(3-methylphenyl)methoxy]benzaldehyde has a molecular weight of 226.28 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylphenyl)methoxy]benzaldehyde is sourced from PubChem (CID 3778700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).