3-[(4-tert-butylphenyl)methoxy]-5-methylbenzaldehyde

C19H22O2 — CID 122476290

IUPAC3-[(4-tert-butylphenyl)methoxy]-5-methylbenzaldehyde
SMILESCc1cc(C=O)cc(OCc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C19H22O2/c1-14-9-16(12-20)11-18(10-14)21-13-15-5-7-17(8-6-15)19(2,3)4/h5-12H,13H2,1-4H3
InChIKeyHVXRWOKKHWNCHD-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.68
Rot. Bonds4

About 3-[(4-tert-butylphenyl)methoxy]-5-methylbenzaldehyde

3-[(4-tert-butylphenyl)methoxy]-5-methylbenzaldehyde (PubChem CID 122476290) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-[(4-tert-butylphenyl)methoxy]-5-methylbenzaldehyde.

Molecular Properties

Compound Name3-[(4-tert-butylphenyl)methoxy]-5-methylbenzaldehyde
PubChem CID122476290
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name3-[(4-tert-butylphenyl)methoxy]-5-methylbenzaldehyde
SMILESCc1cc(C=O)cc(OCc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C19H22O2/c1-14-9-16(12-20)11-18(10-14)21-13-15-5-7-17(8-6-15)19(2,3)4/h5-12H,13H2,1-4H3
InChIKeyHVXRWOKKHWNCHD-UHFFFAOYSA-N
XLogP4.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.68
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

3-[(4-tert-butylphenyl)methoxy]-5-methylphenol
CID 107679876
3-[(3-ethylphenyl)methoxy]-5-methylbenzaldehyde
CID 123229702
3,5-bis[(4-ethoxyphenyl)methoxy]benzaldehyde
CID 25120528
3-methyl-5-[(3-methyl-5-prop-1-en-2-ylphenyl)methoxy]benzaldehyde
CID 144776762
4-methylbenzaldehyde;3-[(4-methylphenyl)methoxy]benzaldehyde
CID 161145970
3-methyl-5-[[4-(2-methylbutan-2-yl)phenyl]methoxy]phenol
CID 123417920
3-(2-hydroxyethoxy)-5-methylbenzaldehyde
CID 170132633
3-methyl-5-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]benzaldehyde
CID 54273330
3-[(4-tert-butylphenyl)methoxy]-5-(hydroxymethyl)phenol
CID 101207534
methyl 3,5-bis[(4-tert-butylphenyl)methoxy]benzoate
CID 135035006
3-formyl-5-[(4-methoxyphenyl)methoxy]benzonitrile
CID 87548973
4-[(4-methoxyphenyl)methoxy]-3,5-dimethylbenzaldehyde
CID 28880560

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylphenyl)methoxy]-5-methylbenzaldehyde?
The IUPAC name of 3-[(4-tert-butylphenyl)methoxy]-5-methylbenzaldehyde (CID 122476290) is 3-[(4-tert-butylphenyl)methoxy]-5-methylbenzaldehyde.
What is the SMILES notation for 3-[(4-tert-butylphenyl)methoxy]-5-methylbenzaldehyde?
The canonical SMILES for 3-[(4-tert-butylphenyl)methoxy]-5-methylbenzaldehyde is Cc1cc(C=O)cc(OCc2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 3-[(4-tert-butylphenyl)methoxy]-5-methylbenzaldehyde?
The InChIKey is HVXRWOKKHWNCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-14-9-16(12-20)11-18(10-14)21-13-15-5-7-17(8-6-15)19(2,3)4/h5-12H,13H2,1-4H3.
What are the key properties of 3-[(4-tert-butylphenyl)methoxy]-5-methylbenzaldehyde?
3-[(4-tert-butylphenyl)methoxy]-5-methylbenzaldehyde has a molecular weight of 282.38 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylphenyl)methoxy]-5-methylbenzaldehyde is sourced from PubChem (CID 122476290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).