3-methoxy-5-(4-methoxyphenyl)-2-nitrosobenzaldehyde

C15H13NO4 — CID 118874173

IUPAC3-methoxy-5-(4-methoxyphenyl)-2-nitrosobenzaldehyde
SMILESCOc1ccc(-c2cc(C=O)c(N=O)c(OC)c2)cc1
InChIInChI=1S/C15H13NO4/c1-19-13-5-3-10(4-6-13)11-7-12(9-17)15(16-18)14(8-11)20-2/h3-9H,1-2H3
InChIKeyHUZCYSPZWLIVNT-UHFFFAOYSA-N
MW271.27 g/mol
LogP3.58
Rot. Bonds5

About 3-methoxy-5-(4-methoxyphenyl)-2-nitrosobenzaldehyde

3-methoxy-5-(4-methoxyphenyl)-2-nitrosobenzaldehyde (PubChem CID 118874173) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 3-methoxy-5-(4-methoxyphenyl)-2-nitrosobenzaldehyde.

Molecular Properties

Compound Name3-methoxy-5-(4-methoxyphenyl)-2-nitrosobenzaldehyde
PubChem CID118874173
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name3-methoxy-5-(4-methoxyphenyl)-2-nitrosobenzaldehyde
SMILESCOc1ccc(-c2cc(C=O)c(N=O)c(OC)c2)cc1
InChIInChI=1S/C15H13NO4/c1-19-13-5-3-10(4-6-13)11-7-12(9-17)15(16-18)14(8-11)20-2/h3-9H,1-2H3
InChIKeyHUZCYSPZWLIVNT-UHFFFAOYSA-N
XLogP3.58
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethoxy-5-(4-methoxyphenyl)benzaldehyde
CID 82039032
5-(2-fluorophenyl)-3-methoxy-2-nitrosobenzaldehyde
CID 126763445
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
4-(4-formyl-N-[4-[4-(4-methoxy-N-(4-methoxy-3-methylphenyl)anilino)phenyl]phenyl]anilino)-2-methylbenzaldehyde
CID 58205438
2-methoxy-4-pyridin-4-ylbenzaldehyde
CID 164891675
5-[4-(dimethylamino)phenyl]-2-methoxybenzaldehyde
CID 54912342
5-chloro-2-(4-methoxyphenyl)benzaldehyde
CID 66159684
6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 82518162
ethane;2-(4-methoxyphenoxy)-5-methylbenzaldehyde
CID 143820051
2-(4-methoxyphenyl)furan-3-carbaldehyde
CID 86258825
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
5-(2-fluoro-4-methoxyphenyl)-2-hydroxy-3-methoxybenzaldehyde
CID 59599763

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-(4-methoxyphenyl)-2-nitrosobenzaldehyde?
The IUPAC name of 3-methoxy-5-(4-methoxyphenyl)-2-nitrosobenzaldehyde (CID 118874173) is 3-methoxy-5-(4-methoxyphenyl)-2-nitrosobenzaldehyde.
What is the SMILES notation for 3-methoxy-5-(4-methoxyphenyl)-2-nitrosobenzaldehyde?
The canonical SMILES for 3-methoxy-5-(4-methoxyphenyl)-2-nitrosobenzaldehyde is COc1ccc(-c2cc(C=O)c(N=O)c(OC)c2)cc1.
What is the InChIKey of 3-methoxy-5-(4-methoxyphenyl)-2-nitrosobenzaldehyde?
The InChIKey is HUZCYSPZWLIVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-19-13-5-3-10(4-6-13)11-7-12(9-17)15(16-18)14(8-11)20-2/h3-9H,1-2H3.
What are the key properties of 3-methoxy-5-(4-methoxyphenyl)-2-nitrosobenzaldehyde?
3-methoxy-5-(4-methoxyphenyl)-2-nitrosobenzaldehyde has a molecular weight of 271.27 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-(4-methoxyphenyl)-2-nitrosobenzaldehyde is sourced from PubChem (CID 118874173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).