4-(5-methyl-2-propan-2-ylphenoxy)benzaldehyde

C17H18O2 — CID 22685102

IUPAC4-(5-methyl-2-propan-2-ylphenoxy)benzaldehyde
SMILESCc1ccc(C(C)C)c(Oc2ccc(C=O)cc2)c1
InChIInChI=1S/C17H18O2/c1-12(2)16-9-4-13(3)10-17(16)19-15-7-5-14(11-18)6-8-15/h4-12H,1-3H3
InChIKeyWIZCEXMJHZRLPR-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.72
Rot. Bonds4

About 4-(5-methyl-2-propan-2-ylphenoxy)benzaldehyde

4-(5-methyl-2-propan-2-ylphenoxy)benzaldehyde (PubChem CID 22685102) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-(5-methyl-2-propan-2-ylphenoxy)benzaldehyde.

Molecular Properties

Compound Name4-(5-methyl-2-propan-2-ylphenoxy)benzaldehyde
PubChem CID22685102
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name4-(5-methyl-2-propan-2-ylphenoxy)benzaldehyde
SMILESCc1ccc(C(C)C)c(Oc2ccc(C=O)cc2)c1
InChIInChI=1S/C17H18O2/c1-12(2)16-9-4-13(3)10-17(16)19-15-7-5-14(11-18)6-8-15/h4-12H,1-3H3
InChIKeyWIZCEXMJHZRLPR-UHFFFAOYSA-N
XLogP4.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.72
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

4-methyl-2-(4-nitrophenoxy)-1-propan-2-ylbenzene
CID 766292
3-bromo-4-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]benzaldehyde
CID 2219754
4-methyl-3-(4-propan-2-ylphenoxy)benzaldehyde
CID 105405402
2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzoic acid
CID 63515238
2-amino-5-(5-methyl-2-propan-2-ylphenoxy)benzamide
CID 61311722
3-(5-methyl-2-propan-2-ylphenoxy)benzoic acid
CID 63943066
4-[4-(5-methyl-2-propan-2-ylphenoxy)phenyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 633081
3-(2,5-dimethylphenoxy)-4-methylbenzaldehyde
CID 105405428
(5-methyl-2-propan-2-ylphenyl) (Z)-2-methylbut-2-enoate
CID 24862589
4-methyl-2-methylperoxy-1-propan-2-ylbenzene
CID 135233977
2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarbothioamide
CID 63518585
2-methyl-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide
CID 81269066

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-2-propan-2-ylphenoxy)benzaldehyde?
The IUPAC name of 4-(5-methyl-2-propan-2-ylphenoxy)benzaldehyde (CID 22685102) is 4-(5-methyl-2-propan-2-ylphenoxy)benzaldehyde.
What is the SMILES notation for 4-(5-methyl-2-propan-2-ylphenoxy)benzaldehyde?
The canonical SMILES for 4-(5-methyl-2-propan-2-ylphenoxy)benzaldehyde is Cc1ccc(C(C)C)c(Oc2ccc(C=O)cc2)c1.
What is the InChIKey of 4-(5-methyl-2-propan-2-ylphenoxy)benzaldehyde?
The InChIKey is WIZCEXMJHZRLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-12(2)16-9-4-13(3)10-17(16)19-15-7-5-14(11-18)6-8-15/h4-12H,1-3H3.
What are the key properties of 4-(5-methyl-2-propan-2-ylphenoxy)benzaldehyde?
4-(5-methyl-2-propan-2-ylphenoxy)benzaldehyde has a molecular weight of 254.33 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-2-propan-2-ylphenoxy)benzaldehyde is sourced from PubChem (CID 22685102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).