2-[2-(2-tert-butyl-4-methoxyphenoxy)ethoxy]-5-chlorobenzaldehyde

C20H23ClO4 — CID 22687213

IUPAC2-[2-(2-tert-butyl-4-methoxyphenoxy)ethoxy]-5-chlorobenzaldehyde
SMILESCOc1ccc(OCCOc2ccc(Cl)cc2C=O)c(C(C)(C)C)c1
InChIInChI=1S/C20H23ClO4/c1-20(2,3)17-12-16(23-4)6-8-19(17)25-10-9-24-18-7-5-15(21)11-14(18)13-22/h5-8,11-13H,9-10H2,1-4H3
InChIKeyDTZBSXPICSHBLX-UHFFFAOYSA-N
MW362.85 g/mol
LogP4.92
Rot. Bonds7

About 2-[2-(2-tert-butyl-4-methoxyphenoxy)ethoxy]-5-chlorobenzaldehyde

2-[2-(2-tert-butyl-4-methoxyphenoxy)ethoxy]-5-chlorobenzaldehyde (PubChem CID 22687213) has the molecular formula C20H23ClO4 and a molecular weight of 362.85 g/mol. Its IUPAC name is 2-[2-(2-tert-butyl-4-methoxyphenoxy)ethoxy]-5-chlorobenzaldehyde.

Molecular Properties

Compound Name2-[2-(2-tert-butyl-4-methoxyphenoxy)ethoxy]-5-chlorobenzaldehyde
PubChem CID22687213
Molecular FormulaC20H23ClO4
Molecular Weight362.85 g/mol
Exact Mass362.13
IUPAC Name2-[2-(2-tert-butyl-4-methoxyphenoxy)ethoxy]-5-chlorobenzaldehyde
SMILESCOc1ccc(OCCOc2ccc(Cl)cc2C=O)c(C(C)(C)C)c1
InChIInChI=1S/C20H23ClO4/c1-20(2,3)17-12-16(23-4)6-8-19(17)25-10-9-24-18-7-5-15(21)11-14(18)13-22/h5-8,11-13H,9-10H2,1-4H3
InChIKeyDTZBSXPICSHBLX-UHFFFAOYSA-N
XLogP4.92
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.85
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[4-(2-formyl-4-methoxyphenoxy)butoxy]-5-methoxybenzaldehyde
CID 11850864
2-(2-chloroethoxy)-5-methoxybenzaldehyde
CID 3828469
2-[(2,5-dichlorophenyl)methoxy]-5-methoxybenzaldehyde
CID 65317291
2-(2-hydroxy-2-methylpropoxy)-5-methoxybenzaldehyde
CID 60884654
5-chloro-2-(3-hydroxy-3-methylbutoxy)benzaldehyde
CID 79354849
5-methoxy-2-[2-(2,2,2-trifluoroethoxy)ethoxy]benzaldehyde
CID 61490800
1-(3-bromopropoxy)-2-tert-butyl-4-methoxybenzene
CID 43135423
5-chloro-2-(3,3,3-trifluoropropoxy)benzaldehyde
CID 60772707
5-methoxy-2-(3-methoxy-3-methylbutoxy)benzaldehyde
CID 103033823
3-(2-tert-butyl-4-methoxyphenoxy)propanoic acid
CID 16771116
5-chloro-2-[2-(2,5-dimethylphenoxy)ethoxy]benzaldehyde
CID 20992054
5-chloro-2-[2-(4-propylphenoxy)ethoxy]benzaldehyde
CID 20988288

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-tert-butyl-4-methoxyphenoxy)ethoxy]-5-chlorobenzaldehyde?
The IUPAC name of 2-[2-(2-tert-butyl-4-methoxyphenoxy)ethoxy]-5-chlorobenzaldehyde (CID 22687213) is 2-[2-(2-tert-butyl-4-methoxyphenoxy)ethoxy]-5-chlorobenzaldehyde.
What is the SMILES notation for 2-[2-(2-tert-butyl-4-methoxyphenoxy)ethoxy]-5-chlorobenzaldehyde?
The canonical SMILES for 2-[2-(2-tert-butyl-4-methoxyphenoxy)ethoxy]-5-chlorobenzaldehyde is COc1ccc(OCCOc2ccc(Cl)cc2C=O)c(C(C)(C)C)c1.
What is the InChIKey of 2-[2-(2-tert-butyl-4-methoxyphenoxy)ethoxy]-5-chlorobenzaldehyde?
The InChIKey is DTZBSXPICSHBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClO4/c1-20(2,3)17-12-16(23-4)6-8-19(17)25-10-9-24-18-7-5-15(21)11-14(18)13-22/h5-8,11-13H,9-10H2,1-4H3.
What are the key properties of 2-[2-(2-tert-butyl-4-methoxyphenoxy)ethoxy]-5-chlorobenzaldehyde?
2-[2-(2-tert-butyl-4-methoxyphenoxy)ethoxy]-5-chlorobenzaldehyde has a molecular weight of 362.85 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-tert-butyl-4-methoxyphenoxy)ethoxy]-5-chlorobenzaldehyde is sourced from PubChem (CID 22687213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).