2-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]benzaldehyde

C21H26O3 — CID 20988456

IUPAC2-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]benzaldehyde
SMILESCCc1ccc(OCCOc2ccccc2C=O)c(C(C)(C)C)c1
InChIInChI=1S/C21H26O3/c1-5-16-10-11-20(18(14-16)21(2,3)4)24-13-12-23-19-9-7-6-8-17(19)15-22/h6-11,14-15H,5,12-13H2,1-4H3
InChIKeyUKUFYRRYXMSSKN-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.82
Rot. Bonds7

About 2-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]benzaldehyde

2-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]benzaldehyde (PubChem CID 20988456) has the molecular formula C21H26O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]benzaldehyde.

Molecular Properties

Compound Name2-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]benzaldehyde
PubChem CID20988456
Molecular FormulaC21H26O3
Molecular Weight326.44 g/mol
Exact Mass326.19
IUPAC Name2-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]benzaldehyde
SMILESCCc1ccc(OCCOc2ccccc2C=O)c(C(C)(C)C)c1
InChIInChI=1S/C21H26O3/c1-5-16-10-11-20(18(14-16)21(2,3)4)24-13-12-23-19-9-7-6-8-17(19)15-22/h6-11,14-15H,5,12-13H2,1-4H3
InChIKeyUKUFYRRYXMSSKN-UHFFFAOYSA-N
XLogP4.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-tert-butyl-4-ethylphenoxy)benzaldehyde
CID 28514995
2-[2-(2,4-ditert-butylphenoxy)ethoxy]benzaldehyde
CID 22685837
(2-tert-butyl-4-ethylphenyl) benzoate
CID 146420995
N-[2-(2-tert-butyl-4-ethylphenoxy)ethyl]-2-methylpropan-2-amine
CID 63476113
[3-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]phenyl]methanamine
CID 22687466
2-[(4-tert-butylphenyl)methoxy]benzaldehyde
CID 22359834
5-(2-tert-butyl-4-ethylphenoxy)pentanenitrile
CID 60673937
5-(2-tert-butyl-4-ethylphenoxy)furan-2-carbaldehyde
CID 65237566
5-ethyl-2-(2-hydroxyethoxy)benzaldehyde
CID 22039827
(2-tert-butyl-4-ethylphenoxy)methyl-trifluoroboranuide
CID 63701534
2-[4-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine
CID 20984719
2-[4-(2-formylphenoxy)butoxy]benzaldehyde
CID 3090117

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]benzaldehyde?
The IUPAC name of 2-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]benzaldehyde (CID 20988456) is 2-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]benzaldehyde.
What is the SMILES notation for 2-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]benzaldehyde?
The canonical SMILES for 2-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]benzaldehyde is CCc1ccc(OCCOc2ccccc2C=O)c(C(C)(C)C)c1.
What is the InChIKey of 2-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]benzaldehyde?
The InChIKey is UKUFYRRYXMSSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O3/c1-5-16-10-11-20(18(14-16)21(2,3)4)24-13-12-23-19-9-7-6-8-17(19)15-22/h6-11,14-15H,5,12-13H2,1-4H3.
What are the key properties of 2-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]benzaldehyde?
2-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]benzaldehyde has a molecular weight of 326.44 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]benzaldehyde is sourced from PubChem (CID 20988456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).