2-[(2,4-dimethylphenoxy)methyl]benzaldehyde

C16H16O2 — CID 19879846

IUPAC2-[(2,4-dimethylphenoxy)methyl]benzaldehyde
SMILESCc1ccc(OCc2ccccc2C=O)c(C)c1
InChIInChI=1S/C16H16O2/c1-12-7-8-16(13(2)9-12)18-11-15-6-4-3-5-14(15)10-17/h3-10H,11H2,1-2H3
InChIKeyNPTHQXSIHOKQDP-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.69
Rot. Bonds4

About 2-[(2,4-dimethylphenoxy)methyl]benzaldehyde

2-[(2,4-dimethylphenoxy)methyl]benzaldehyde (PubChem CID 19879846) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[(2,4-dimethylphenoxy)methyl]benzaldehyde.

Molecular Properties

Compound Name2-[(2,4-dimethylphenoxy)methyl]benzaldehyde
PubChem CID19879846
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name2-[(2,4-dimethylphenoxy)methyl]benzaldehyde
SMILESCc1ccc(OCc2ccccc2C=O)c(C)c1
InChIInChI=1S/C16H16O2/c1-12-7-8-16(13(2)9-12)18-11-15-6-4-3-5-14(15)10-17/h3-10H,11H2,1-2H3
InChIKeyNPTHQXSIHOKQDP-UHFFFAOYSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.69
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

1,1-diethoxyethane;2-[(2,5-dimethylphenoxy)methyl]benzaldehyde
CID 87257546
2-[(2,4-dimethylphenoxy)methyl]benzenethiol
CID 54329729
2-[(2,4-difluorophenoxy)methyl]benzaldehyde
CID 87366498
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
2-[(2,4-dimethylphenoxy)methyl]benzohydrazide
CID 63576319
2-[(2-propan-2-ylphenoxy)methyl]benzaldehyde
CID 87257554
ethane;5-methyl-2-phenylmethoxybenzaldehyde
CID 142857349
5-bromo-2-[(2-methylphenyl)methoxy]benzaldehyde
CID 2063319
4-methyl-2-[(2-nitrophenyl)methoxy]benzaldehyde
CID 142459215
O-[2-[(2,4-dimethylphenoxy)methyl]phenyl] propanethioate
CID 122646248
4-chloro-2-[(2,5-dimethylphenoxy)methyl]benzaldehyde
CID 87257562
5-chloro-2-[(2,5-dimethylphenyl)methoxy]benzaldehyde
CID 63530846

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylphenoxy)methyl]benzaldehyde?
The IUPAC name of 2-[(2,4-dimethylphenoxy)methyl]benzaldehyde (CID 19879846) is 2-[(2,4-dimethylphenoxy)methyl]benzaldehyde.
What is the SMILES notation for 2-[(2,4-dimethylphenoxy)methyl]benzaldehyde?
The canonical SMILES for 2-[(2,4-dimethylphenoxy)methyl]benzaldehyde is Cc1ccc(OCc2ccccc2C=O)c(C)c1.
What is the InChIKey of 2-[(2,4-dimethylphenoxy)methyl]benzaldehyde?
The InChIKey is NPTHQXSIHOKQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-12-7-8-16(13(2)9-12)18-11-15-6-4-3-5-14(15)10-17/h3-10H,11H2,1-2H3.
What are the key properties of 2-[(2,4-dimethylphenoxy)methyl]benzaldehyde?
2-[(2,4-dimethylphenoxy)methyl]benzaldehyde has a molecular weight of 240.30 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylphenoxy)methyl]benzaldehyde is sourced from PubChem (CID 19879846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).