2-hydroxy-3-methoxy-5-[5-(morpholine-4-carbonyl)thiophen-2-yl]benzaldehyde

C17H17NO5S — CID 59599920

IUPAC2-hydroxy-3-methoxy-5-[5-(morpholine-4-carbonyl)thiophen-2-yl]benzaldehyde
SMILESCOc1cc(-c2ccc(C(=O)N3CCOCC3)s2)cc(C=O)c1O
InChIInChI=1S/C17H17NO5S/c1-22-13-9-11(8-12(10-19)16(13)20)14-2-3-15(24-14)17(21)18-4-6-23-7-5-18/h2-3,8-10,20H,4-7H2,1H3
InChIKeySCYFJTZMGDXVTR-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.41
Rot. Bonds4

About 2-hydroxy-3-methoxy-5-[5-(morpholine-4-carbonyl)thiophen-2-yl]benzaldehyde

2-hydroxy-3-methoxy-5-[5-(morpholine-4-carbonyl)thiophen-2-yl]benzaldehyde (PubChem CID 59599920) has the molecular formula C17H17NO5S and a molecular weight of 347.39 g/mol. Its IUPAC name is 2-hydroxy-3-methoxy-5-[5-(morpholine-4-carbonyl)thiophen-2-yl]benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-3-methoxy-5-[5-(morpholine-4-carbonyl)thiophen-2-yl]benzaldehyde
PubChem CID59599920
Molecular FormulaC17H17NO5S
Molecular Weight347.39 g/mol
Exact Mass347.08
IUPAC Name2-hydroxy-3-methoxy-5-[5-(morpholine-4-carbonyl)thiophen-2-yl]benzaldehyde
SMILESCOc1cc(-c2ccc(C(=O)N3CCOCC3)s2)cc(C=O)c1O
InChIInChI=1S/C17H17NO5S/c1-22-13-9-11(8-12(10-19)16(13)20)14-2-3-15(24-14)17(21)18-4-6-23-7-5-18/h2-3,8-10,20H,4-7H2,1H3
InChIKeySCYFJTZMGDXVTR-UHFFFAOYSA-N
XLogP2.41
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-hydroxy-3-methoxy-5-[5-(morpholine-4-carbonyl)thiophen-2-yl]benzaldehyde?
The IUPAC name of 2-hydroxy-3-methoxy-5-[5-(morpholine-4-carbonyl)thiophen-2-yl]benzaldehyde (CID 59599920) is 2-hydroxy-3-methoxy-5-[5-(morpholine-4-carbonyl)thiophen-2-yl]benzaldehyde.
What is the SMILES notation for 2-hydroxy-3-methoxy-5-[5-(morpholine-4-carbonyl)thiophen-2-yl]benzaldehyde?
The canonical SMILES for 2-hydroxy-3-methoxy-5-[5-(morpholine-4-carbonyl)thiophen-2-yl]benzaldehyde is COc1cc(-c2ccc(C(=O)N3CCOCC3)s2)cc(C=O)c1O.
What is the InChIKey of 2-hydroxy-3-methoxy-5-[5-(morpholine-4-carbonyl)thiophen-2-yl]benzaldehyde?
The InChIKey is SCYFJTZMGDXVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5S/c1-22-13-9-11(8-12(10-19)16(13)20)14-2-3-15(24-14)17(21)18-4-6-23-7-5-18/h2-3,8-10,20H,4-7H2,1H3.
What are the key properties of 2-hydroxy-3-methoxy-5-[5-(morpholine-4-carbonyl)thiophen-2-yl]benzaldehyde?
2-hydroxy-3-methoxy-5-[5-(morpholine-4-carbonyl)thiophen-2-yl]benzaldehyde has a molecular weight of 347.39 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methoxy-5-[5-(morpholine-4-carbonyl)thiophen-2-yl]benzaldehyde is sourced from PubChem (CID 59599920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).