2-[5-(diethylamino)-2-formylphenyl]-4-hydroxy-3-methoxybenzaldehyde

C19H21NO4 — CID 141008613

IUPAC2-[5-(diethylamino)-2-formylphenyl]-4-hydroxy-3-methoxybenzaldehyde
SMILESCCN(CC)c1ccc(C=O)c(-c2c(C=O)ccc(O)c2OC)c1
InChIInChI=1S/C19H21NO4/c1-4-20(5-2)15-8-6-13(11-21)16(10-15)18-14(12-22)7-9-17(23)19(18)24-3/h6-12,23H,4-5H2,1-3H3
InChIKeyOJGKSRJTNHCSKP-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.54
Rot. Bonds7

About 2-[5-(diethylamino)-2-formylphenyl]-4-hydroxy-3-methoxybenzaldehyde

2-[5-(diethylamino)-2-formylphenyl]-4-hydroxy-3-methoxybenzaldehyde (PubChem CID 141008613) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[5-(diethylamino)-2-formylphenyl]-4-hydroxy-3-methoxybenzaldehyde.

Molecular Properties

Compound Name2-[5-(diethylamino)-2-formylphenyl]-4-hydroxy-3-methoxybenzaldehyde
PubChem CID141008613
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name2-[5-(diethylamino)-2-formylphenyl]-4-hydroxy-3-methoxybenzaldehyde
SMILESCCN(CC)c1ccc(C=O)c(-c2c(C=O)ccc(O)c2OC)c1
InChIInChI=1S/C19H21NO4/c1-4-20(5-2)15-8-6-13(11-21)16(10-15)18-14(12-22)7-9-17(23)19(18)24-3/h6-12,23H,4-5H2,1-3H3
InChIKeyOJGKSRJTNHCSKP-UHFFFAOYSA-N
XLogP3.54
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
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-[5-(diethylamino)-2-formylphenyl]-4-hydroxy-3-methoxybenzaldehyde?
The IUPAC name of 2-[5-(diethylamino)-2-formylphenyl]-4-hydroxy-3-methoxybenzaldehyde (CID 141008613) is 2-[5-(diethylamino)-2-formylphenyl]-4-hydroxy-3-methoxybenzaldehyde.
What is the SMILES notation for 2-[5-(diethylamino)-2-formylphenyl]-4-hydroxy-3-methoxybenzaldehyde?
The canonical SMILES for 2-[5-(diethylamino)-2-formylphenyl]-4-hydroxy-3-methoxybenzaldehyde is CCN(CC)c1ccc(C=O)c(-c2c(C=O)ccc(O)c2OC)c1.
What is the InChIKey of 2-[5-(diethylamino)-2-formylphenyl]-4-hydroxy-3-methoxybenzaldehyde?
The InChIKey is OJGKSRJTNHCSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-4-20(5-2)15-8-6-13(11-21)16(10-15)18-14(12-22)7-9-17(23)19(18)24-3/h6-12,23H,4-5H2,1-3H3.
What are the key properties of 2-[5-(diethylamino)-2-formylphenyl]-4-hydroxy-3-methoxybenzaldehyde?
2-[5-(diethylamino)-2-formylphenyl]-4-hydroxy-3-methoxybenzaldehyde has a molecular weight of 327.38 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(diethylamino)-2-formylphenyl]-4-hydroxy-3-methoxybenzaldehyde is sourced from PubChem (CID 141008613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).