2-[(4-methylmorpholin-2-yl)methoxy]-4-propoxybenzaldehyde

C16H23NO4 — CID 79175399

IUPAC2-[(4-methylmorpholin-2-yl)methoxy]-4-propoxybenzaldehyde
SMILESCCCOc1ccc(C=O)c(OCC2CN(C)CCO2)c1
InChIInChI=1S/C16H23NO4/c1-3-7-19-14-5-4-13(11-18)16(9-14)21-12-15-10-17(2)6-8-20-15/h4-5,9,11,15H,3,6-8,10,12H2,1-2H3
InChIKeyVOJCKDKDJVPANH-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.00
Rot. Bonds7

About 2-[(4-methylmorpholin-2-yl)methoxy]-4-propoxybenzaldehyde

2-[(4-methylmorpholin-2-yl)methoxy]-4-propoxybenzaldehyde (PubChem CID 79175399) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[(4-methylmorpholin-2-yl)methoxy]-4-propoxybenzaldehyde.

Molecular Properties

Compound Name2-[(4-methylmorpholin-2-yl)methoxy]-4-propoxybenzaldehyde
PubChem CID79175399
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-[(4-methylmorpholin-2-yl)methoxy]-4-propoxybenzaldehyde
SMILESCCCOc1ccc(C=O)c(OCC2CN(C)CCO2)c1
InChIInChI=1S/C16H23NO4/c1-3-7-19-14-5-4-13(11-18)16(9-14)21-12-15-10-17(2)6-8-20-15/h4-5,9,11,15H,3,6-8,10,12H2,1-2H3
InChIKeyVOJCKDKDJVPANH-UHFFFAOYSA-N
XLogP2.00
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylmorpholin-2-yl)methoxy]-4-propoxybenzaldehyde?
The IUPAC name of 2-[(4-methylmorpholin-2-yl)methoxy]-4-propoxybenzaldehyde (CID 79175399) is 2-[(4-methylmorpholin-2-yl)methoxy]-4-propoxybenzaldehyde.
What is the SMILES notation for 2-[(4-methylmorpholin-2-yl)methoxy]-4-propoxybenzaldehyde?
The canonical SMILES for 2-[(4-methylmorpholin-2-yl)methoxy]-4-propoxybenzaldehyde is CCCOc1ccc(C=O)c(OCC2CN(C)CCO2)c1.
What is the InChIKey of 2-[(4-methylmorpholin-2-yl)methoxy]-4-propoxybenzaldehyde?
The InChIKey is VOJCKDKDJVPANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-3-7-19-14-5-4-13(11-18)16(9-14)21-12-15-10-17(2)6-8-20-15/h4-5,9,11,15H,3,6-8,10,12H2,1-2H3.
What are the key properties of 2-[(4-methylmorpholin-2-yl)methoxy]-4-propoxybenzaldehyde?
2-[(4-methylmorpholin-2-yl)methoxy]-4-propoxybenzaldehyde has a molecular weight of 293.36 g/mol, XLogP of 2.00, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylmorpholin-2-yl)methoxy]-4-propoxybenzaldehyde is sourced from PubChem (CID 79175399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).