4-methyl-3-(4-propoxyphenoxy)benzaldehyde

C17H18O3 — CID 105405469

IUPAC4-methyl-3-(4-propoxyphenoxy)benzaldehyde
SMILESCCCOc1ccc(Oc2cc(C=O)ccc2C)cc1
InChIInChI=1S/C17H18O3/c1-3-10-19-15-6-8-16(9-7-15)20-17-11-14(12-18)5-4-13(17)2/h4-9,11-12H,3,10H2,1-2H3
InChIKeyBNCMYBVXXWJUPV-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.39
Rot. Bonds6

About 4-methyl-3-(4-propoxyphenoxy)benzaldehyde

4-methyl-3-(4-propoxyphenoxy)benzaldehyde (PubChem CID 105405469) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-methyl-3-(4-propoxyphenoxy)benzaldehyde.

Molecular Properties

Compound Name4-methyl-3-(4-propoxyphenoxy)benzaldehyde
PubChem CID105405469
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name4-methyl-3-(4-propoxyphenoxy)benzaldehyde
SMILESCCCOc1ccc(Oc2cc(C=O)ccc2C)cc1
InChIInChI=1S/C17H18O3/c1-3-10-19-15-6-8-16(9-7-15)20-17-11-14(12-18)5-4-13(17)2/h4-9,11-12H,3,10H2,1-2H3
InChIKeyBNCMYBVXXWJUPV-UHFFFAOYSA-N
XLogP4.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-butoxy-4-methylbenzaldehyde
CID 91636264
4-methyl-3-(4-propan-2-ylphenoxy)benzaldehyde
CID 105405402
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
4-(4-decoxyphenoxy)benzaldehyde
CID 22713263
3-(2-iodoethoxy)-4-methylbenzaldehyde
CID 86685653
3-ethoxy-4-[3-(4-methylphenoxy)propoxy]benzaldehyde
CID 2219731
3-methoxy-5-(4-propan-2-ylphenoxy)-4-propoxybenzaldehyde
CID 7139023
4-(2-methyl-5-nitrophenoxy)benzaldehyde
CID 54915397
4-icosoxybenzaldehyde
CID 23127488
3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-dodecoxyphenyl)ethenyl]phenyl]ethenyl]benzaldehyde
CID 11094483

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(4-propoxyphenoxy)benzaldehyde?
The IUPAC name of 4-methyl-3-(4-propoxyphenoxy)benzaldehyde (CID 105405469) is 4-methyl-3-(4-propoxyphenoxy)benzaldehyde.
What is the SMILES notation for 4-methyl-3-(4-propoxyphenoxy)benzaldehyde?
The canonical SMILES for 4-methyl-3-(4-propoxyphenoxy)benzaldehyde is CCCOc1ccc(Oc2cc(C=O)ccc2C)cc1.
What is the InChIKey of 4-methyl-3-(4-propoxyphenoxy)benzaldehyde?
The InChIKey is BNCMYBVXXWJUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-3-10-19-15-6-8-16(9-7-15)20-17-11-14(12-18)5-4-13(17)2/h4-9,11-12H,3,10H2,1-2H3.
What are the key properties of 4-methyl-3-(4-propoxyphenoxy)benzaldehyde?
4-methyl-3-(4-propoxyphenoxy)benzaldehyde has a molecular weight of 270.33 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(4-propoxyphenoxy)benzaldehyde is sourced from PubChem (CID 105405469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).