4-methyl-3-(4-propan-2-ylphenoxy)benzaldehyde

C17H18O2 — CID 105405402

IUPAC4-methyl-3-(4-propan-2-ylphenoxy)benzaldehyde
SMILESCc1ccc(C=O)cc1Oc1ccc(C(C)C)cc1
InChIInChI=1S/C17H18O2/c1-12(2)15-6-8-16(9-7-15)19-17-10-14(11-18)5-4-13(17)3/h4-12H,1-3H3
InChIKeyPUBAOLYXEUKDIX-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.72
Rot. Bonds4

About 4-methyl-3-(4-propan-2-ylphenoxy)benzaldehyde

4-methyl-3-(4-propan-2-ylphenoxy)benzaldehyde (PubChem CID 105405402) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-methyl-3-(4-propan-2-ylphenoxy)benzaldehyde.

Molecular Properties

Compound Name4-methyl-3-(4-propan-2-ylphenoxy)benzaldehyde
PubChem CID105405402
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name4-methyl-3-(4-propan-2-ylphenoxy)benzaldehyde
SMILESCc1ccc(C=O)cc1Oc1ccc(C(C)C)cc1
InChIInChI=1S/C17H18O2/c1-12(2)15-6-8-16(9-7-15)19-17-10-14(11-18)5-4-13(17)3/h4-12H,1-3H3
InChIKeyPUBAOLYXEUKDIX-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-3-(4-propoxyphenoxy)benzaldehyde
CID 105405469
4-methyl-3-(4-propan-2-ylphenoxy)aniline
CID 155433623
3-(3-methoxyphenoxy)-4-methylbenzaldehyde
CID 105405411
3-(2,5-dimethylphenoxy)-4-methylbenzaldehyde
CID 105405428
3-(6-bromonaphthalen-2-yl)oxy-4-methylbenzaldehyde
CID 105405451
3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzaldehyde
CID 105405596
4-propan-2-ylbenzaldehyde
CID 326
N-[[4-methyl-3-(4-propan-2-ylphenoxy)phenyl]methyl]ethanamine
CID 105406594
3-methoxy-5-(4-propan-2-ylphenoxy)-4-propoxybenzaldehyde
CID 7139023
4-(2-methyl-5-nitrophenoxy)benzaldehyde
CID 54915397
3-methoxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]benzaldehyde
CID 22684618
6-(4-propan-2-ylphenoxy)pyridine-3-carbaldehyde
CID 80632252

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(4-propan-2-ylphenoxy)benzaldehyde?
The IUPAC name of 4-methyl-3-(4-propan-2-ylphenoxy)benzaldehyde (CID 105405402) is 4-methyl-3-(4-propan-2-ylphenoxy)benzaldehyde.
What is the SMILES notation for 4-methyl-3-(4-propan-2-ylphenoxy)benzaldehyde?
The canonical SMILES for 4-methyl-3-(4-propan-2-ylphenoxy)benzaldehyde is Cc1ccc(C=O)cc1Oc1ccc(C(C)C)cc1.
What is the InChIKey of 4-methyl-3-(4-propan-2-ylphenoxy)benzaldehyde?
The InChIKey is PUBAOLYXEUKDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-12(2)15-6-8-16(9-7-15)19-17-10-14(11-18)5-4-13(17)3/h4-12H,1-3H3.
What are the key properties of 4-methyl-3-(4-propan-2-ylphenoxy)benzaldehyde?
4-methyl-3-(4-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-methyl-3-(4-propan-2-ylphenoxy)benzaldehyde is sourced from PubChem (CID 105405402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).