3-methoxy-2-(3-morpholin-4-ylbutoxy)benzaldehyde

C16H23NO4 — CID 82037792

IUPAC3-methoxy-2-(3-morpholin-4-ylbutoxy)benzaldehyde
SMILESCOc1cccc(C=O)c1OCCC(C)N1CCOCC1
InChIInChI=1S/C16H23NO4/c1-13(17-7-10-20-11-8-17)6-9-21-16-14(12-18)4-3-5-15(16)19-2/h3-5,12-13H,6-11H2,1-2H3
InChIKeyBNXHBHDVCOQHBE-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.00
Rot. Bonds7

About 3-methoxy-2-(3-morpholin-4-ylbutoxy)benzaldehyde

3-methoxy-2-(3-morpholin-4-ylbutoxy)benzaldehyde (PubChem CID 82037792) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 3-methoxy-2-(3-morpholin-4-ylbutoxy)benzaldehyde.

Molecular Properties

Compound Name3-methoxy-2-(3-morpholin-4-ylbutoxy)benzaldehyde
PubChem CID82037792
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name3-methoxy-2-(3-morpholin-4-ylbutoxy)benzaldehyde
SMILESCOc1cccc(C=O)c1OCCC(C)N1CCOCC1
InChIInChI=1S/C16H23NO4/c1-13(17-7-10-20-11-8-17)6-9-21-16-14(12-18)4-3-5-15(16)19-2/h3-5,12-13H,6-11H2,1-2H3
InChIKeyBNXHBHDVCOQHBE-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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Related Compounds

3-(3-morpholin-4-ylbutoxy)benzaldehyde
CID 82037081
2-(2-fluoroethoxy)-3-methoxybenzaldehyde
CID 80693762
3-methoxy-2-(2-methylpentoxy)benzaldehyde
CID 62265011
2-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethoxy]-3-methoxybenzaldehyde
CID 99991877
2-[2-(2,6-dimethylpiperidin-1-yl)ethoxy]-3-methoxybenzaldehyde
CID 132649982
3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 11644081
2-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butoxy]-3-methoxybenzaldehyde
CID 7380102
2-[2-(2,3-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 20985626
3-methoxy-2-[4-(4-methylpiperazin-1-yl)butoxy]benzaldehyde;oxalic acid
CID 2951012
diethyl-[3-(2-formyl-6-methoxyphenoxy)propyl]azanium
CID 2200049
[3-methoxy-2-(3-methylbutoxy)phenyl]methylidenehydrazine
CID 168529237
3-methoxy-2-(3-piperidin-1-ium-1-ylpropoxy)benzaldehyde
CID 2200637

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(3-morpholin-4-ylbutoxy)benzaldehyde?
The IUPAC name of 3-methoxy-2-(3-morpholin-4-ylbutoxy)benzaldehyde (CID 82037792) is 3-methoxy-2-(3-morpholin-4-ylbutoxy)benzaldehyde.
What is the SMILES notation for 3-methoxy-2-(3-morpholin-4-ylbutoxy)benzaldehyde?
The canonical SMILES for 3-methoxy-2-(3-morpholin-4-ylbutoxy)benzaldehyde is COc1cccc(C=O)c1OCCC(C)N1CCOCC1.
What is the InChIKey of 3-methoxy-2-(3-morpholin-4-ylbutoxy)benzaldehyde?
The InChIKey is BNXHBHDVCOQHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-13(17-7-10-20-11-8-17)6-9-21-16-14(12-18)4-3-5-15(16)19-2/h3-5,12-13H,6-11H2,1-2H3.
What are the key properties of 3-methoxy-2-(3-morpholin-4-ylbutoxy)benzaldehyde?
3-methoxy-2-(3-morpholin-4-ylbutoxy)benzaldehyde 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 3-methoxy-2-(3-morpholin-4-ylbutoxy)benzaldehyde is sourced from PubChem (CID 82037792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).