4-(6-hydroxyhexoxy)-3-methoxybenzoyl azide

C14H19N3O4 — CID 122206960

IUPAC4-(6-hydroxyhexoxy)-3-methoxybenzoyl azide
SMILESCOc1cc(C(=O)N=[N+]=[N-])ccc1OCCCCCCO
InChIInChI=1S/C14H19N3O4/c1-20-13-10-11(14(19)16-17-15)6-7-12(13)21-9-5-3-2-4-8-18/h6-7,10,18H,2-5,8-9H2,1H3
InChIKeyHCIGIXGHNKPXSD-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.08
Rot. Bonds9

About 4-(6-hydroxyhexoxy)-3-methoxybenzoyl azide

4-(6-hydroxyhexoxy)-3-methoxybenzoyl azide (PubChem CID 122206960) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-(6-hydroxyhexoxy)-3-methoxybenzoyl azide.

Molecular Properties

Compound Name4-(6-hydroxyhexoxy)-3-methoxybenzoyl azide
PubChem CID122206960
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name4-(6-hydroxyhexoxy)-3-methoxybenzoyl azide
SMILESCOc1cc(C(=O)N=[N+]=[N-])ccc1OCCCCCCO
InChIInChI=1S/C14H19N3O4/c1-20-13-10-11(14(19)16-17-15)6-7-12(13)21-9-5-3-2-4-8-18/h6-7,10,18H,2-5,8-9H2,1H3
InChIKeyHCIGIXGHNKPXSD-UHFFFAOYSA-N
XLogP3.08
TPSA104.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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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Frequently Asked Questions

What is the IUPAC name of 4-(6-hydroxyhexoxy)-3-methoxybenzoyl azide?
The IUPAC name of 4-(6-hydroxyhexoxy)-3-methoxybenzoyl azide (CID 122206960) is 4-(6-hydroxyhexoxy)-3-methoxybenzoyl azide.
What is the SMILES notation for 4-(6-hydroxyhexoxy)-3-methoxybenzoyl azide?
The canonical SMILES for 4-(6-hydroxyhexoxy)-3-methoxybenzoyl azide is COc1cc(C(=O)N=[N+]=[N-])ccc1OCCCCCCO.
What is the InChIKey of 4-(6-hydroxyhexoxy)-3-methoxybenzoyl azide?
The InChIKey is HCIGIXGHNKPXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-20-13-10-11(14(19)16-17-15)6-7-12(13)21-9-5-3-2-4-8-18/h6-7,10,18H,2-5,8-9H2,1H3.
What are the key properties of 4-(6-hydroxyhexoxy)-3-methoxybenzoyl azide?
4-(6-hydroxyhexoxy)-3-methoxybenzoyl azide has a molecular weight of 293.32 g/mol, XLogP of 3.08, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-hydroxyhexoxy)-3-methoxybenzoyl azide is sourced from PubChem (CID 122206960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).