2-(2-tert-butyl-5-methylphenoxy)-5-chlorobenzaldehyde

C18H19ClO2 — CID 114844809

IUPAC2-(2-tert-butyl-5-methylphenoxy)-5-chlorobenzaldehyde
SMILESCc1ccc(C(C)(C)C)c(Oc2ccc(Cl)cc2C=O)c1
InChIInChI=1S/C18H19ClO2/c1-12-5-7-15(18(2,3)4)17(9-12)21-16-8-6-14(19)10-13(16)11-20/h5-11H,1-4H3
InChIKeyOSWRBGBCWUZUAB-UHFFFAOYSA-N
MW302.80 g/mol
LogP5.55
Rot. Bonds3

About 2-(2-tert-butyl-5-methylphenoxy)-5-chlorobenzaldehyde

2-(2-tert-butyl-5-methylphenoxy)-5-chlorobenzaldehyde (PubChem CID 114844809) has the molecular formula C18H19ClO2 and a molecular weight of 302.80 g/mol. Its IUPAC name is 2-(2-tert-butyl-5-methylphenoxy)-5-chlorobenzaldehyde.

Molecular Properties

Compound Name2-(2-tert-butyl-5-methylphenoxy)-5-chlorobenzaldehyde
PubChem CID114844809
Molecular FormulaC18H19ClO2
Molecular Weight302.80 g/mol
Exact Mass302.11
IUPAC Name2-(2-tert-butyl-5-methylphenoxy)-5-chlorobenzaldehyde
SMILESCc1ccc(C(C)(C)C)c(Oc2ccc(Cl)cc2C=O)c1
InChIInChI=1S/C18H19ClO2/c1-12-5-7-15(18(2,3)4)17(9-12)21-16-8-6-14(19)10-13(16)11-20/h5-11H,1-4H3
InChIKeyOSWRBGBCWUZUAB-UHFFFAOYSA-N
XLogP5.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.80
LogP ≤ 55.55
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

5-chloro-2-(2-methoxy-4-methylphenoxy)benzaldehyde
CID 114844661
2-(2-tert-butyl-5-methylphenoxy)-4-chlorobenzonitrile
CID 63513427
5-chloro-2-[2-(2,5-dimethylphenoxy)ethoxy]benzaldehyde
CID 20992054
4-(2-tert-butyl-5-methylphenoxy)-3-chloroaniline
CID 29012989
3-(2-tert-butyl-5-methylphenoxy)-4,5-dimethoxybenzaldehyde
CID 7138957
2-[2-(2-tert-butyl-4-methoxyphenoxy)ethoxy]-5-chlorobenzaldehyde
CID 22687213
2-(4-bromo-2-chlorophenoxy)-5-chlorobenzaldehyde
CID 114844783
2-(2,5-difluorophenoxy)-5-methylbenzaldehyde
CID 114054339
2-(2,3-dichlorophenoxy)-5-methylbenzaldehyde
CID 114054289
5-chloro-2-[(4-methylphenyl)methoxy]benzaldehyde
CID 892242
5-chloro-2-(2-methyl-4-nitrophenoxy)benzaldehyde
CID 114844980
5-chloro-2-[(2,5-dimethylphenyl)methoxy]benzaldehyde
CID 63530846

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-5-methylphenoxy)-5-chlorobenzaldehyde?
The IUPAC name of 2-(2-tert-butyl-5-methylphenoxy)-5-chlorobenzaldehyde (CID 114844809) is 2-(2-tert-butyl-5-methylphenoxy)-5-chlorobenzaldehyde.
What is the SMILES notation for 2-(2-tert-butyl-5-methylphenoxy)-5-chlorobenzaldehyde?
The canonical SMILES for 2-(2-tert-butyl-5-methylphenoxy)-5-chlorobenzaldehyde is Cc1ccc(C(C)(C)C)c(Oc2ccc(Cl)cc2C=O)c1.
What is the InChIKey of 2-(2-tert-butyl-5-methylphenoxy)-5-chlorobenzaldehyde?
The InChIKey is OSWRBGBCWUZUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO2/c1-12-5-7-15(18(2,3)4)17(9-12)21-16-8-6-14(19)10-13(16)11-20/h5-11H,1-4H3.
What are the key properties of 2-(2-tert-butyl-5-methylphenoxy)-5-chlorobenzaldehyde?
2-(2-tert-butyl-5-methylphenoxy)-5-chlorobenzaldehyde has a molecular weight of 302.80 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-5-methylphenoxy)-5-chlorobenzaldehyde is sourced from PubChem (CID 114844809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).