2-(2-tert-butyl-4-ethylphenoxy)benzaldehyde

C19H22O2 — CID 28514995

IUPAC2-(2-tert-butyl-4-ethylphenoxy)benzaldehyde
SMILESCCc1ccc(Oc2ccccc2C=O)c(C(C)(C)C)c1
InChIInChI=1S/C19H22O2/c1-5-14-10-11-18(16(12-14)19(2,3)4)21-17-9-7-6-8-15(17)13-20/h6-13H,5H2,1-4H3
InChIKeyOOWWPZBUROYETM-UHFFFAOYSA-N
MW282.38 g/mol
LogP5.15
Rot. Bonds4

About 2-(2-tert-butyl-4-ethylphenoxy)benzaldehyde

2-(2-tert-butyl-4-ethylphenoxy)benzaldehyde (PubChem CID 28514995) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-(2-tert-butyl-4-ethylphenoxy)benzaldehyde.

Molecular Properties

Compound Name2-(2-tert-butyl-4-ethylphenoxy)benzaldehyde
PubChem CID28514995
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name2-(2-tert-butyl-4-ethylphenoxy)benzaldehyde
SMILESCCc1ccc(Oc2ccccc2C=O)c(C(C)(C)C)c1
InChIInChI=1S/C19H22O2/c1-5-14-10-11-18(16(12-14)19(2,3)4)21-17-9-7-6-8-15(17)13-20/h6-13H,5H2,1-4H3
InChIKeyOOWWPZBUROYETM-UHFFFAOYSA-N
XLogP5.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.38
LogP ≤ 55.15
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-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]benzaldehyde
CID 20988456
5-(2-tert-butyl-4-ethylphenoxy)furan-2-carbaldehyde
CID 65237566
(2-tert-butyl-4-ethylphenyl) benzoate
CID 146420995
2-(4-ethylphenoxy)benzaldehyde
CID 29041486
2-[2-(2,4-ditert-butylphenoxy)ethoxy]benzaldehyde
CID 22685837
4-(2-tert-butyl-4-ethylphenoxy)-3-iodoaniline
CID 66093586
2-[(4-tert-butylphenyl)methoxy]benzaldehyde
CID 22359834
4-(2-tert-butyl-4-ethylphenoxy)benzonitrile
CID 20989459
(2-tert-butyl-4-ethylphenoxy)methyl-trifluoroboranuide
CID 63701534
5-(2-tert-butyl-4-ethylphenoxy)pyrazin-2-amine
CID 80663583
2-(3-ethylphenoxy)-5-fluorobenzaldehyde
CID 43313054
2-bromo-5-(2-tert-butyl-4-ethylphenoxy)-1,3,4-thiadiazole
CID 64625478

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-4-ethylphenoxy)benzaldehyde?
The IUPAC name of 2-(2-tert-butyl-4-ethylphenoxy)benzaldehyde (CID 28514995) is 2-(2-tert-butyl-4-ethylphenoxy)benzaldehyde.
What is the SMILES notation for 2-(2-tert-butyl-4-ethylphenoxy)benzaldehyde?
The canonical SMILES for 2-(2-tert-butyl-4-ethylphenoxy)benzaldehyde is CCc1ccc(Oc2ccccc2C=O)c(C(C)(C)C)c1.
What is the InChIKey of 2-(2-tert-butyl-4-ethylphenoxy)benzaldehyde?
The InChIKey is OOWWPZBUROYETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-5-14-10-11-18(16(12-14)19(2,3)4)21-17-9-7-6-8-15(17)13-20/h6-13H,5H2,1-4H3.
What are the key properties of 2-(2-tert-butyl-4-ethylphenoxy)benzaldehyde?
2-(2-tert-butyl-4-ethylphenoxy)benzaldehyde has a molecular weight of 282.38 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-4-ethylphenoxy)benzaldehyde is sourced from PubChem (CID 28514995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).