2-hydroxy-5-(2-methoxyphenyl)-3-nitrosobenzaldehyde

C14H11NO4 — CID 126763378

IUPAC2-hydroxy-5-(2-methoxyphenyl)-3-nitrosobenzaldehyde
SMILESCOc1ccccc1-c1cc(C=O)c(O)c(N=O)c1
InChIInChI=1S/C14H11NO4/c1-19-13-5-3-2-4-11(13)9-6-10(8-16)14(17)12(7-9)15-18/h2-8,17H,1H3
InChIKeyJDLYTEGEGGOQAJ-UHFFFAOYSA-N
MW257.25 g/mol
LogP3.28
Rot. Bonds4

About 2-hydroxy-5-(2-methoxyphenyl)-3-nitrosobenzaldehyde

2-hydroxy-5-(2-methoxyphenyl)-3-nitrosobenzaldehyde (PubChem CID 126763378) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-hydroxy-5-(2-methoxyphenyl)-3-nitrosobenzaldehyde.

Molecular Properties

Compound Name2-hydroxy-5-(2-methoxyphenyl)-3-nitrosobenzaldehyde
PubChem CID126763378
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Name2-hydroxy-5-(2-methoxyphenyl)-3-nitrosobenzaldehyde
SMILESCOc1ccccc1-c1cc(C=O)c(O)c(N=O)c1
InChIInChI=1S/C14H11NO4/c1-19-13-5-3-2-4-11(13)9-6-10(8-16)14(17)12(7-9)15-18/h2-8,17H,1H3
InChIKeyJDLYTEGEGGOQAJ-UHFFFAOYSA-N
XLogP3.28
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-hydroxy-5-(2-methoxyphenyl)-3-nitrosobenzaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

5-(2-chlorophenyl)-2-hydroxy-3-methoxybenzaldehyde
CID 39224803
5-(2-aminophenyl)-2-hydroxy-3-methoxybenzaldehyde
CID 39224754
5-(2-fluorophenyl)-3-methoxy-2-nitrosobenzaldehyde
CID 126763445
2-amino-5-(2-methoxyphenyl)pyridine-3-carbaldehyde
CID 115036600
5-tert-butyl-3-(2,6-dimethoxyphenyl)-2-hydroxybenzaldehyde
CID 15501148
2-hydroxy-3-methoxybenzaldehyde
CID 8991
2-hydroxy-3-methoxybenzaldehyde;methane
CID 165075137
copper;bis(2-hydroxy-3-methoxybenzaldehyde)
CID 50897387
5-(2,6-dimethoxyphenyl)-2-methoxybenzaldehyde
CID 116810898
5-(2-fluoro-4-methoxyphenyl)-2-hydroxy-3-methoxybenzaldehyde
CID 59599763
2-(2,6-dimethoxyphenyl)-4-hydroxy-5-methoxybenzaldehyde
CID 22633129
ethene;2-hydroxy-3-methoxybenzaldehyde
CID 175162627

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(2-methoxyphenyl)-3-nitrosobenzaldehyde?
The IUPAC name of 2-hydroxy-5-(2-methoxyphenyl)-3-nitrosobenzaldehyde (CID 126763378) is 2-hydroxy-5-(2-methoxyphenyl)-3-nitrosobenzaldehyde.
What is the SMILES notation for 2-hydroxy-5-(2-methoxyphenyl)-3-nitrosobenzaldehyde?
The canonical SMILES for 2-hydroxy-5-(2-methoxyphenyl)-3-nitrosobenzaldehyde is COc1ccccc1-c1cc(C=O)c(O)c(N=O)c1.
What is the InChIKey of 2-hydroxy-5-(2-methoxyphenyl)-3-nitrosobenzaldehyde?
The InChIKey is JDLYTEGEGGOQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c1-19-13-5-3-2-4-11(13)9-6-10(8-16)14(17)12(7-9)15-18/h2-8,17H,1H3.
What are the key properties of 2-hydroxy-5-(2-methoxyphenyl)-3-nitrosobenzaldehyde?
2-hydroxy-5-(2-methoxyphenyl)-3-nitrosobenzaldehyde has a molecular weight of 257.25 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(2-methoxyphenyl)-3-nitrosobenzaldehyde is sourced from PubChem (CID 126763378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).