2-(cyclopropylmethoxy)-5-(2-nitrosophenyl)benzaldehyde

C17H15NO3 — CID 155050785

IUPAC2-(cyclopropylmethoxy)-5-(2-nitrosophenyl)benzaldehyde
SMILESO=Cc1cc(-c2ccccc2N=O)ccc1OCC1CC1
InChIInChI=1S/C17H15NO3/c19-10-14-9-13(15-3-1-2-4-16(15)18-20)7-8-17(14)21-11-12-5-6-12/h1-4,7-10,12H,5-6,11H2
InChIKeyLYZGMCGBGWDWGW-UHFFFAOYSA-N
MW281.31 g/mol
LogP4.35
Rot. Bonds6

About 2-(cyclopropylmethoxy)-5-(2-nitrosophenyl)benzaldehyde

2-(cyclopropylmethoxy)-5-(2-nitrosophenyl)benzaldehyde (PubChem CID 155050785) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-5-(2-nitrosophenyl)benzaldehyde.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-5-(2-nitrosophenyl)benzaldehyde
PubChem CID155050785
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name2-(cyclopropylmethoxy)-5-(2-nitrosophenyl)benzaldehyde
SMILESO=Cc1cc(-c2ccccc2N=O)ccc1OCC1CC1
InChIInChI=1S/C17H15NO3/c19-10-14-9-13(15-3-1-2-4-16(15)18-20)7-8-17(14)21-11-12-5-6-12/h1-4,7-10,12H,5-6,11H2
InChIKeyLYZGMCGBGWDWGW-UHFFFAOYSA-N
XLogP4.35
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(cyclopropylmethoxy)-5-(2-nitrosophenyl)benzaldehyde?
The IUPAC name of 2-(cyclopropylmethoxy)-5-(2-nitrosophenyl)benzaldehyde (CID 155050785) is 2-(cyclopropylmethoxy)-5-(2-nitrosophenyl)benzaldehyde.
What is the SMILES notation for 2-(cyclopropylmethoxy)-5-(2-nitrosophenyl)benzaldehyde?
The canonical SMILES for 2-(cyclopropylmethoxy)-5-(2-nitrosophenyl)benzaldehyde is O=Cc1cc(-c2ccccc2N=O)ccc1OCC1CC1.
What is the InChIKey of 2-(cyclopropylmethoxy)-5-(2-nitrosophenyl)benzaldehyde?
The InChIKey is LYZGMCGBGWDWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c19-10-14-9-13(15-3-1-2-4-16(15)18-20)7-8-17(14)21-11-12-5-6-12/h1-4,7-10,12H,5-6,11H2.
What are the key properties of 2-(cyclopropylmethoxy)-5-(2-nitrosophenyl)benzaldehyde?
2-(cyclopropylmethoxy)-5-(2-nitrosophenyl)benzaldehyde has a molecular weight of 281.31 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-5-(2-nitrosophenyl)benzaldehyde is sourced from PubChem (CID 155050785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).