3-methyl-4-[5-[[4-[2-(4-methylphenyl)ethoxy]phenyl]methoxy]-3-pyridinyl]benzaldehyde

C29H27NO3 — CID 170409769

IUPAC3-methyl-4-[5-[[4-[2-(4-methylphenyl)ethoxy]phenyl]methoxy]-3-pyridinyl]benzaldehyde
SMILESCc1ccc(CCOc2ccc(COc3cncc(-c4ccc(C=O)cc4C)c3)cc2)cc1
InChIInChI=1S/C29H27NO3/c1-21-3-5-23(6-4-21)13-14-32-27-10-7-24(8-11-27)20-33-28-16-26(17-30-18-28)29-12-9-25(19-31)15-22(29)2/h3-12,15-19H,13-14,20H2,1-2H3
InChIKeyRHVTUXKLESMZSP-UHFFFAOYSA-N
MW437.54 g/mol
LogP6.38
Rot. Bonds9

About 3-methyl-4-[5-[[4-[2-(4-methylphenyl)ethoxy]phenyl]methoxy]-3-pyridinyl]benzaldehyde

3-methyl-4-[5-[[4-[2-(4-methylphenyl)ethoxy]phenyl]methoxy]-3-pyridinyl]benzaldehyde (PubChem CID 170409769) has the molecular formula C29H27NO3 and a molecular weight of 437.54 g/mol. Its IUPAC name is 3-methyl-4-[5-[[4-[2-(4-methylphenyl)ethoxy]phenyl]methoxy]-3-pyridinyl]benzaldehyde.

Molecular Properties

Compound Name3-methyl-4-[5-[[4-[2-(4-methylphenyl)ethoxy]phenyl]methoxy]-3-pyridinyl]benzaldehyde
PubChem CID170409769
Molecular FormulaC29H27NO3
Molecular Weight437.54 g/mol
Exact Mass437.20
IUPAC Name3-methyl-4-[5-[[4-[2-(4-methylphenyl)ethoxy]phenyl]methoxy]-3-pyridinyl]benzaldehyde
SMILESCc1ccc(CCOc2ccc(COc3cncc(-c4ccc(C=O)cc4C)c3)cc2)cc1
InChIInChI=1S/C29H27NO3/c1-21-3-5-23(6-4-21)13-14-32-27-10-7-24(8-11-27)20-33-28-16-26(17-30-18-28)29-12-9-25(19-31)15-22(29)2/h3-12,15-19H,13-14,20H2,1-2H3
InChIKeyRHVTUXKLESMZSP-UHFFFAOYSA-N
XLogP6.38
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.54
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[[4-[2-(4-ethenylphenyl)ethoxy]phenyl]methoxy]phenyl]-3-methylbenzaldehyde
CID 170409768
3-methyl-4-(4-methylphenyl)benzaldehyde
CID 81447593
5-[(4-methoxyphenyl)methoxy]pyridine-3-carbaldehyde
CID 113469448
3-chloro-4-(5-ethoxy-3-pyridinyl)benzaldehyde
CID 114076484
4-methylbenzaldehyde;3-[(4-methylphenyl)methoxy]benzaldehyde
CID 161145970
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
4-[2-(4-fluorophenyl)ethoxy]benzaldehyde
CID 87614238
4-[2-(4-methylphenoxy)ethyl]pyridine
CID 64763978
5-methyl-2-[2-[4-[4-[(4-methylphenoxy)methyl]phenyl]phenyl]ethyl]pyrimidine
CID 59265321
3-[(4-methylphenyl)methoxy]pyridine
CID 58445986
4-(3-ethoxyphenyl)-3-methylbenzaldehyde
CID 81448039
6-[5-[3-(4-methylphenyl)propoxy]-3-pyridinyl]isoquinoline
CID 142256049

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[5-[[4-[2-(4-methylphenyl)ethoxy]phenyl]methoxy]-3-pyridinyl]benzaldehyde?
The IUPAC name of 3-methyl-4-[5-[[4-[2-(4-methylphenyl)ethoxy]phenyl]methoxy]-3-pyridinyl]benzaldehyde (CID 170409769) is 3-methyl-4-[5-[[4-[2-(4-methylphenyl)ethoxy]phenyl]methoxy]-3-pyridinyl]benzaldehyde.
What is the SMILES notation for 3-methyl-4-[5-[[4-[2-(4-methylphenyl)ethoxy]phenyl]methoxy]-3-pyridinyl]benzaldehyde?
The canonical SMILES for 3-methyl-4-[5-[[4-[2-(4-methylphenyl)ethoxy]phenyl]methoxy]-3-pyridinyl]benzaldehyde is Cc1ccc(CCOc2ccc(COc3cncc(-c4ccc(C=O)cc4C)c3)cc2)cc1.
What is the InChIKey of 3-methyl-4-[5-[[4-[2-(4-methylphenyl)ethoxy]phenyl]methoxy]-3-pyridinyl]benzaldehyde?
The InChIKey is RHVTUXKLESMZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO3/c1-21-3-5-23(6-4-21)13-14-32-27-10-7-24(8-11-27)20-33-28-16-26(17-30-18-28)29-12-9-25(19-31)15-22(29)2/h3-12,15-19H,13-14,20H2,1-2H3.
What are the key properties of 3-methyl-4-[5-[[4-[2-(4-methylphenyl)ethoxy]phenyl]methoxy]-3-pyridinyl]benzaldehyde?
3-methyl-4-[5-[[4-[2-(4-methylphenyl)ethoxy]phenyl]methoxy]-3-pyridinyl]benzaldehyde has a molecular weight of 437.54 g/mol, XLogP of 6.38, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[5-[[4-[2-(4-methylphenyl)ethoxy]phenyl]methoxy]-3-pyridinyl]benzaldehyde is sourced from PubChem (CID 170409769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).