2-[(4-tert-butylphenyl)methoxy]benzaldehyde

C18H20O2 — CID 22359834

IUPAC2-[(4-tert-butylphenyl)methoxy]benzaldehyde
SMILESCC(C)(C)c1ccc(COc2ccccc2C=O)cc1
InChIInChI=1S/C18H20O2/c1-18(2,3)16-10-8-14(9-11-16)13-20-17-7-5-4-6-15(17)12-19/h4-12H,13H2,1-3H3
InChIKeyUFIJEWDJVYVVFY-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.38
Rot. Bonds4

About 2-[(4-tert-butylphenyl)methoxy]benzaldehyde

2-[(4-tert-butylphenyl)methoxy]benzaldehyde (PubChem CID 22359834) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[(4-tert-butylphenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name2-[(4-tert-butylphenyl)methoxy]benzaldehyde
PubChem CID22359834
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name2-[(4-tert-butylphenyl)methoxy]benzaldehyde
SMILESCC(C)(C)c1ccc(COc2ccccc2C=O)cc1
InChIInChI=1S/C18H20O2/c1-18(2,3)16-10-8-14(9-11-16)13-20-17-7-5-4-6-15(17)12-19/h4-12H,13H2,1-3H3
InChIKeyUFIJEWDJVYVVFY-UHFFFAOYSA-N
XLogP4.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.38
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-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 60681232
2-[(4-methylphenyl)methoxy]benzaldehyde
CID 693304
2-[[4-(hydroxymethyl)phenyl]methoxy]benzaldehyde
CID 110005164
4-bromo-2-[(4-tert-butylphenyl)methoxy]benzaldehyde
CID 58008259
2-[2-[(4-tert-butylphenyl)methoxy]phenyl]acetaldehyde;ethane
CID 144777042
1-tert-butyl-4-[(2-ethylphenoxy)methyl]benzene
CID 60627116
1-tert-butyl-4-[(2-methylphenoxy)methyl]benzene
CID 59416571
4-[(2-formylphenoxy)methyl]-N,N-dimethylbenzenesulfonamide
CID 10860151
2-[2-(2,4-ditert-butylphenoxy)ethoxy]benzaldehyde
CID 22685837
ethyl 4-[(2-formylphenoxy)methyl]benzoate
CID 87464157
2-[(3,5-difluorophenyl)methoxy]benzaldehyde
CID 105403637
2-(2-hydroxy-2-methylpropoxy)benzaldehyde
CID 60884222

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenyl)methoxy]benzaldehyde?
The IUPAC name of 2-[(4-tert-butylphenyl)methoxy]benzaldehyde (CID 22359834) is 2-[(4-tert-butylphenyl)methoxy]benzaldehyde.
What is the SMILES notation for 2-[(4-tert-butylphenyl)methoxy]benzaldehyde?
The canonical SMILES for 2-[(4-tert-butylphenyl)methoxy]benzaldehyde is CC(C)(C)c1ccc(COc2ccccc2C=O)cc1.
What is the InChIKey of 2-[(4-tert-butylphenyl)methoxy]benzaldehyde?
The InChIKey is UFIJEWDJVYVVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-18(2,3)16-10-8-14(9-11-16)13-20-17-7-5-4-6-15(17)12-19/h4-12H,13H2,1-3H3.
What are the key properties of 2-[(4-tert-butylphenyl)methoxy]benzaldehyde?
2-[(4-tert-butylphenyl)methoxy]benzaldehyde has a molecular weight of 268.36 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenyl)methoxy]benzaldehyde is sourced from PubChem (CID 22359834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).