2-hydroxy-6-nonylbenzaldehyde

C16H24O2 — CID 21480218

IUPAC2-hydroxy-6-nonylbenzaldehyde
SMILESCCCCCCCCCc1cccc(O)c1C=O
InChIInChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-10-14-11-9-12-16(18)15(14)13-17/h9,11-13,18H,2-8,10H2,1H3
InChIKeyOWBVGHGQUMHBML-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.50
Rot. Bonds9

About 2-hydroxy-6-nonylbenzaldehyde

2-hydroxy-6-nonylbenzaldehyde (PubChem CID 21480218) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-hydroxy-6-nonylbenzaldehyde.

Molecular Properties

Compound Name2-hydroxy-6-nonylbenzaldehyde
PubChem CID21480218
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name2-hydroxy-6-nonylbenzaldehyde
SMILESCCCCCCCCCc1cccc(O)c1C=O
InChIInChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-10-14-11-9-12-16(18)15(14)13-17/h9,11-13,18H,2-8,10H2,1H3
InChIKeyOWBVGHGQUMHBML-UHFFFAOYSA-N
XLogP4.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-hydroxy-6-nonylbenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-nonylbenzaldehyde?
The IUPAC name of 2-hydroxy-6-nonylbenzaldehyde (CID 21480218) is 2-hydroxy-6-nonylbenzaldehyde.
What is the SMILES notation for 2-hydroxy-6-nonylbenzaldehyde?
The canonical SMILES for 2-hydroxy-6-nonylbenzaldehyde is CCCCCCCCCc1cccc(O)c1C=O.
What is the InChIKey of 2-hydroxy-6-nonylbenzaldehyde?
The InChIKey is OWBVGHGQUMHBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-10-14-11-9-12-16(18)15(14)13-17/h9,11-13,18H,2-8,10H2,1H3.
What are the key properties of 2-hydroxy-6-nonylbenzaldehyde?
2-hydroxy-6-nonylbenzaldehyde has a molecular weight of 248.37 g/mol, XLogP of 4.50, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-nonylbenzaldehyde is sourced from PubChem (CID 21480218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).