3-(3-hydroxycyclopentyl)oxy-4-methoxybenzoyl azide

C13H15N3O4 — CID 57019519

IUPAC3-(3-hydroxycyclopentyl)oxy-4-methoxybenzoyl azide
SMILESCOc1ccc(C(=O)N=[N+]=[N-])cc1OC1CCC(O)C1
InChIInChI=1S/C13H15N3O4/c1-19-11-5-2-8(13(18)15-16-14)6-12(11)20-10-4-3-9(17)7-10/h2,5-6,9-10,17H,3-4,7H2,1H3
InChIKeyNTJMLLTVWGRWJB-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.44
Rot. Bonds4

About 3-(3-hydroxycyclopentyl)oxy-4-methoxybenzoyl azide

3-(3-hydroxycyclopentyl)oxy-4-methoxybenzoyl azide (PubChem CID 57019519) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 3-(3-hydroxycyclopentyl)oxy-4-methoxybenzoyl azide.

Molecular Properties

Compound Name3-(3-hydroxycyclopentyl)oxy-4-methoxybenzoyl azide
PubChem CID57019519
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name3-(3-hydroxycyclopentyl)oxy-4-methoxybenzoyl azide
SMILESCOc1ccc(C(=O)N=[N+]=[N-])cc1OC1CCC(O)C1
InChIInChI=1S/C13H15N3O4/c1-19-11-5-2-8(13(18)15-16-14)6-12(11)20-10-4-3-9(17)7-10/h2,5-6,9-10,17H,3-4,7H2,1H3
InChIKeyNTJMLLTVWGRWJB-UHFFFAOYSA-N
XLogP2.44
TPSA104.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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'}

Analyze 3-(3-hydroxycyclopentyl)oxy-4-methoxybenzoyl azide 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

4-(6-hydroxyhexoxy)-3-methoxybenzoyl azide
CID 122206960
3,4-diethoxybenzoyl azide
CID 43307138
4-methoxy-3-piperidin-4-yloxybenzoic acid
CID 117053793
N-[(3-hydroxycyclopentyl)methyl]-3,4-dimethoxybenzamide
CID 103280095
2-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone
CID 117376031
bis[4-methoxy-3-(oxolan-3-yloxy)phenyl]methanone
CID 57156728
2-bromo-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone
CID 54438505
6-amino-2-[3-(3-hydroxycyclopentyl)oxy-4-methoxyphenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 57300767
(3-ethoxy-4-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261492
1-[3-(1,1-dioxothietan-3-yl)oxy-4-methoxyphenyl]ethanone
CID 117428990
3-(1,1-dioxothietan-3-yl)oxy-4-methoxybenzoic acid
CID 117433322
1-[4-methoxy-3-(thiolan-3-yloxy)phenyl]ethanone
CID 115005229

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxycyclopentyl)oxy-4-methoxybenzoyl azide?
The IUPAC name of 3-(3-hydroxycyclopentyl)oxy-4-methoxybenzoyl azide (CID 57019519) is 3-(3-hydroxycyclopentyl)oxy-4-methoxybenzoyl azide.
What is the SMILES notation for 3-(3-hydroxycyclopentyl)oxy-4-methoxybenzoyl azide?
The canonical SMILES for 3-(3-hydroxycyclopentyl)oxy-4-methoxybenzoyl azide is COc1ccc(C(=O)N=[N+]=[N-])cc1OC1CCC(O)C1.
What is the InChIKey of 3-(3-hydroxycyclopentyl)oxy-4-methoxybenzoyl azide?
The InChIKey is NTJMLLTVWGRWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-19-11-5-2-8(13(18)15-16-14)6-12(11)20-10-4-3-9(17)7-10/h2,5-6,9-10,17H,3-4,7H2,1H3.
What are the key properties of 3-(3-hydroxycyclopentyl)oxy-4-methoxybenzoyl azide?
3-(3-hydroxycyclopentyl)oxy-4-methoxybenzoyl azide has a molecular weight of 277.28 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxycyclopentyl)oxy-4-methoxybenzoyl azide is sourced from PubChem (CID 57019519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).