5-ethyl-2-phenylmethoxy-6-(phenylmethoxymethyl)pyridine-3-carbaldehyde

C23H23NO3 — CID 19769119

IUPAC5-ethyl-2-phenylmethoxy-6-(phenylmethoxymethyl)pyridine-3-carbaldehyde
SMILESCCc1cc(C=O)c(OCc2ccccc2)nc1COCc1ccccc1
InChIInChI=1S/C23H23NO3/c1-2-20-13-21(14-25)23(27-16-19-11-7-4-8-12-19)24-22(20)17-26-15-18-9-5-3-6-10-18/h3-14H,2,15-17H2,1H3
InChIKeyHXRNIYMNTVKMEO-UHFFFAOYSA-N
MW361.44 g/mol
LogP4.75
Rot. Bonds9

About 5-ethyl-2-phenylmethoxy-6-(phenylmethoxymethyl)pyridine-3-carbaldehyde

5-ethyl-2-phenylmethoxy-6-(phenylmethoxymethyl)pyridine-3-carbaldehyde (PubChem CID 19769119) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is 5-ethyl-2-phenylmethoxy-6-(phenylmethoxymethyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-ethyl-2-phenylmethoxy-6-(phenylmethoxymethyl)pyridine-3-carbaldehyde
PubChem CID19769119
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name5-ethyl-2-phenylmethoxy-6-(phenylmethoxymethyl)pyridine-3-carbaldehyde
SMILESCCc1cc(C=O)c(OCc2ccccc2)nc1COCc1ccccc1
InChIInChI=1S/C23H23NO3/c1-2-20-13-21(14-25)23(27-16-19-11-7-4-8-12-19)24-22(20)17-26-15-18-9-5-3-6-10-18/h3-14H,2,15-17H2,1H3
InChIKeyHXRNIYMNTVKMEO-UHFFFAOYSA-N
XLogP4.75
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.75
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

2-[(E)-2-[5-ethyl-2-phenylmethoxy-6-(phenylmethoxymethyl)-3-pyridinyl]ethenyl]-1,3-benzoxazole
CID 19769121
2-phenylmethoxy-4-(phenylmethoxymethyl)benzaldehyde
CID 59839615
2-butoxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)pyridine
CID 71733309
2-chloro-4-ethyl-3-methyl-5-phenylmethoxybenzaldehyde
CID 91467417
5-ethyl-2-phenylmethoxy-3-prop-2-enylbenzaldehyde
CID 22039321
1-ethyl-4-methyl-2-phenylmethoxy-5-[(Z)-prop-1-enyl]benzene
CID 143534725
1-ethyl-4-(phenylmethoxymethyl)benzene
CID 123410479
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
2-bromo-4-phenylmethoxybenzaldehyde
CID 11173819
ethane;phenylmethoxymethylbenzene
CID 90943549
4,5-difluoro-2-phenylmethoxybenzaldehyde
CID 129164784
2-chloro-5-ethoxy-4-phenylmethoxybenzaldehyde
CID 890667

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-phenylmethoxy-6-(phenylmethoxymethyl)pyridine-3-carbaldehyde?
The IUPAC name of 5-ethyl-2-phenylmethoxy-6-(phenylmethoxymethyl)pyridine-3-carbaldehyde (CID 19769119) is 5-ethyl-2-phenylmethoxy-6-(phenylmethoxymethyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 5-ethyl-2-phenylmethoxy-6-(phenylmethoxymethyl)pyridine-3-carbaldehyde?
The canonical SMILES for 5-ethyl-2-phenylmethoxy-6-(phenylmethoxymethyl)pyridine-3-carbaldehyde is CCc1cc(C=O)c(OCc2ccccc2)nc1COCc1ccccc1.
What is the InChIKey of 5-ethyl-2-phenylmethoxy-6-(phenylmethoxymethyl)pyridine-3-carbaldehyde?
The InChIKey is HXRNIYMNTVKMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c1-2-20-13-21(14-25)23(27-16-19-11-7-4-8-12-19)24-22(20)17-26-15-18-9-5-3-6-10-18/h3-14H,2,15-17H2,1H3.
What are the key properties of 5-ethyl-2-phenylmethoxy-6-(phenylmethoxymethyl)pyridine-3-carbaldehyde?
5-ethyl-2-phenylmethoxy-6-(phenylmethoxymethyl)pyridine-3-carbaldehyde has a molecular weight of 361.44 g/mol, XLogP of 4.75, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-phenylmethoxy-6-(phenylmethoxymethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 19769119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).