4-(dibutylamino)-2-hydroxybenzaldehyde

C15H23NO2 — CID 18534534

IUPAC4-(dibutylamino)-2-hydroxybenzaldehyde
SMILESCCCCN(CCCC)c1ccc(C=O)c(O)c1
InChIInChI=1S/C15H23NO2/c1-3-5-9-16(10-6-4-2)14-8-7-13(12-17)15(18)11-14/h7-8,11-12,18H,3-6,9-10H2,1-2H3
InChIKeyBWHGDPKOFVNGFQ-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.61
Rot. Bonds8

About 4-(dibutylamino)-2-hydroxybenzaldehyde

4-(dibutylamino)-2-hydroxybenzaldehyde (PubChem CID 18534534) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-(dibutylamino)-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name4-(dibutylamino)-2-hydroxybenzaldehyde
PubChem CID18534534
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-(dibutylamino)-2-hydroxybenzaldehyde
SMILESCCCCN(CCCC)c1ccc(C=O)c(O)c1
InChIInChI=1S/C15H23NO2/c1-3-5-9-16(10-6-4-2)14-8-7-13(12-17)15(18)11-14/h7-8,11-12,18H,3-6,9-10H2,1-2H3
InChIKeyBWHGDPKOFVNGFQ-UHFFFAOYSA-N
XLogP3.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(dibutylamino)-2-hydroxybenzaldehyde?
The IUPAC name of 4-(dibutylamino)-2-hydroxybenzaldehyde (CID 18534534) is 4-(dibutylamino)-2-hydroxybenzaldehyde.
What is the SMILES notation for 4-(dibutylamino)-2-hydroxybenzaldehyde?
The canonical SMILES for 4-(dibutylamino)-2-hydroxybenzaldehyde is CCCCN(CCCC)c1ccc(C=O)c(O)c1.
What is the InChIKey of 4-(dibutylamino)-2-hydroxybenzaldehyde?
The InChIKey is BWHGDPKOFVNGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-5-9-16(10-6-4-2)14-8-7-13(12-17)15(18)11-14/h7-8,11-12,18H,3-6,9-10H2,1-2H3.
What are the key properties of 4-(dibutylamino)-2-hydroxybenzaldehyde?
4-(dibutylamino)-2-hydroxybenzaldehyde has a molecular weight of 249.35 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibutylamino)-2-hydroxybenzaldehyde is sourced from PubChem (CID 18534534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).