2-[(4-methylphenyl)methoxy]benzaldehyde

C15H14O2 — CID 693304

IUPAC2-[(4-methylphenyl)methoxy]benzaldehyde
SMILESCc1ccc(COc2ccccc2C=O)cc1
InChIInChI=1S/C15H14O2/c1-12-6-8-13(9-7-12)11-17-15-5-3-2-4-14(15)10-16/h2-10H,11H2,1H3
InChIKeyKLZXAPCLPREJOL-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.39
Rot. Bonds4

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

2-[(4-methylphenyl)methoxy]benzaldehyde (PubChem CID 693304) has the molecular formula C15H14O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name2-[(4-methylphenyl)methoxy]benzaldehyde
PubChem CID693304
Molecular FormulaC15H14O2
Molecular Weight226.28 g/mol
Exact Mass226.10
IUPAC Name2-[(4-methylphenyl)methoxy]benzaldehyde
SMILESCc1ccc(COc2ccccc2C=O)cc1
InChIInChI=1S/C15H14O2/c1-12-6-8-13(9-7-12)11-17-15-5-3-2-4-14(15)10-16/h2-10H,11H2,1H3
InChIKeyKLZXAPCLPREJOL-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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Related Compounds

2-hydroxy-3-[(4-methylphenyl)methoxy]benzaldehyde
CID 143713243
2-[(4-tert-butylphenyl)methoxy]benzaldehyde
CID 22359834
2-[[4-(hydroxymethyl)phenyl]methoxy]benzaldehyde
CID 110005164
2-[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]benzaldehyde
CID 102347712
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
ethyl 4-[(2-formylphenoxy)methyl]benzoate
CID 87464157
2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 60681232
ethane;5-methyl-2-phenylmethoxybenzaldehyde
CID 142857349
(NZ)-4-methyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]benzenesulfonamide
CID 110518890
5-chloro-2-[(4-methylphenyl)methoxy]benzaldehyde
CID 892242
4-[(2-formylphenoxy)methyl]-N,N-dimethylbenzenesulfonamide
CID 10860151
(E)-3-[2-[(4-methylphenyl)methoxy]phenyl]prop-2-enenitrile
CID 6185484

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methoxy]benzaldehyde?
The IUPAC name of 2-[(4-methylphenyl)methoxy]benzaldehyde (CID 693304) is 2-[(4-methylphenyl)methoxy]benzaldehyde.
What is the SMILES notation for 2-[(4-methylphenyl)methoxy]benzaldehyde?
The canonical SMILES for 2-[(4-methylphenyl)methoxy]benzaldehyde is Cc1ccc(COc2ccccc2C=O)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methoxy]benzaldehyde?
The InChIKey is KLZXAPCLPREJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c1-12-6-8-13(9-7-12)11-17-15-5-3-2-4-14(15)10-16/h2-10H,11H2,1H3.
What are the key properties of 2-[(4-methylphenyl)methoxy]benzaldehyde?
2-[(4-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 2-[(4-methylphenyl)methoxy]benzaldehyde is sourced from PubChem (CID 693304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).