4-(1-azidopropoxy)-2-methoxybenzaldehyde

C11H13N3O3 — CID 118415192

IUPAC4-(1-azidopropoxy)-2-methoxybenzaldehyde
SMILESCCC(N=[N+]=[N-])Oc1ccc(C=O)c(OC)c1
InChIInChI=1S/C11H13N3O3/c1-3-11(13-14-12)17-9-5-4-8(7-15)10(6-9)16-2/h4-7,11H,3H2,1-2H3
InChIKeyDCWMNMTXVSLDEX-UHFFFAOYSA-N
MW235.24 g/mol
LogP2.93
Rot. Bonds6

About 4-(1-azidopropoxy)-2-methoxybenzaldehyde

4-(1-azidopropoxy)-2-methoxybenzaldehyde (PubChem CID 118415192) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 4-(1-azidopropoxy)-2-methoxybenzaldehyde.

Molecular Properties

Compound Name4-(1-azidopropoxy)-2-methoxybenzaldehyde
PubChem CID118415192
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name4-(1-azidopropoxy)-2-methoxybenzaldehyde
SMILESCCC(N=[N+]=[N-])Oc1ccc(C=O)c(OC)c1
InChIInChI=1S/C11H13N3O3/c1-3-11(13-14-12)17-9-5-4-8(7-15)10(6-9)16-2/h4-7,11H,3H2,1-2H3
InChIKeyDCWMNMTXVSLDEX-UHFFFAOYSA-N
XLogP2.93
TPSA84.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(4-formyl-3-methoxyphenyl) acetate
CID 22633336
2-ethoxy-4-propan-2-yloxybenzaldehyde
CID 141193639
4-(4-azido-1,2-dihydroxybutyl)-2-methoxybenzaldehyde
CID 171879761
2-methoxy-4-tri(propan-2-yl)silyloxybenzaldehyde
CID 23079535
2-methoxy-4-(4-oxoheptoxy)benzaldehyde
CID 58198820
4-(4-formyl-3-methoxyphenoxy)butanoic acid
CID 2759226
N-ethyl-2-(2-formyl-5-methoxyphenoxy)propanamide
CID 61267753
4-(4-fluorophenoxy)-2-methoxybenzaldehyde
CID 174997678
2,4-bis(difluoromethoxy)benzaldehyde
CID 4218025
2-(ethoxymethoxy)-4-methoxybenzaldehyde
CID 65369635
4-fluoro-2-methoxybenzaldehyde
CID 2774537
4-(18F)fluoro-2-methoxy(18F)benzaldehyde
CID 14816736

Frequently Asked Questions

What is the IUPAC name of 4-(1-azidopropoxy)-2-methoxybenzaldehyde?
The IUPAC name of 4-(1-azidopropoxy)-2-methoxybenzaldehyde (CID 118415192) is 4-(1-azidopropoxy)-2-methoxybenzaldehyde.
What is the SMILES notation for 4-(1-azidopropoxy)-2-methoxybenzaldehyde?
The canonical SMILES for 4-(1-azidopropoxy)-2-methoxybenzaldehyde is CCC(N=[N+]=[N-])Oc1ccc(C=O)c(OC)c1.
What is the InChIKey of 4-(1-azidopropoxy)-2-methoxybenzaldehyde?
The InChIKey is DCWMNMTXVSLDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-3-11(13-14-12)17-9-5-4-8(7-15)10(6-9)16-2/h4-7,11H,3H2,1-2H3.
What are the key properties of 4-(1-azidopropoxy)-2-methoxybenzaldehyde?
4-(1-azidopropoxy)-2-methoxybenzaldehyde has a molecular weight of 235.24 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-azidopropoxy)-2-methoxybenzaldehyde is sourced from PubChem (CID 118415192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).