3-azido-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol

C14H15N3O3 — CID 170826831

IUPAC3-azido-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol
SMILESCOc1ccc2cc(C(O)C(O)CN=[N+]=[N-])ccc2c1
InChIInChI=1S/C14H15N3O3/c1-20-12-5-4-9-6-11(3-2-10(9)7-12)14(19)13(18)8-16-17-15/h2-7,13-14,18-19H,8H2,1H3
InChIKeyMMTVVYVYUCXAIP-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.55
Rot. Bonds5

About 3-azido-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol

3-azido-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol (PubChem CID 170826831) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-azido-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-azido-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol
PubChem CID170826831
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name3-azido-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol
SMILESCOc1ccc2cc(C(O)C(O)CN=[N+]=[N-])ccc2c1
InChIInChI=1S/C14H15N3O3/c1-20-12-5-4-9-6-11(3-2-10(9)7-12)14(19)13(18)8-16-17-15/h2-7,13-14,18-19H,8H2,1H3
InChIKeyMMTVVYVYUCXAIP-UHFFFAOYSA-N
XLogP2.55
TPSA98.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.55
H-Bond Donors ≤ 52
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'}

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Related Compounds

3-azido-1-naphthalen-2-ylpropane-1,2-diol
CID 170826208
3-azido-1-(2-methylquinolin-6-yl)propane-1,2-diol
CID 170826793
1-(6-methoxynaphthalen-2-yl)-3-(methylamino)propane-1,2-diol
CID 171858748
4-chloro-1-(6-methoxynaphthalen-2-yl)butane-1,2-diol
CID 171894610
3-azido-1-(5-methoxy-3-pyridinyl)propane-1,2-diol
CID 170825798
3-azido-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,2-diol
CID 170827281
1-(6-methoxynaphthalen-2-yl)-4-(methylamino)butane-1,2-diol
CID 171891027
3-azido-1-(4-methoxy-2,6-dimethylphenyl)propane-1,2-diol
CID 170826366
2,2-dichloro-1-(6-methoxynaphthalen-2-yl)ethanol
CID 164892254
3-azido-1-(1H-indazol-5-yl)propane-1,2-diol
CID 170826176
3-azido-1-(1H-indazol-6-yl)propane-1,2-diol
CID 170826184
3-azido-1-(4-hexoxyphenyl)propane-1,2-diol
CID 170827229

Frequently Asked Questions

What is the IUPAC name of 3-azido-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol?
The IUPAC name of 3-azido-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol (CID 170826831) is 3-azido-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol.
What is the SMILES notation for 3-azido-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol?
The canonical SMILES for 3-azido-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol is COc1ccc2cc(C(O)C(O)CN=[N+]=[N-])ccc2c1.
What is the InChIKey of 3-azido-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol?
The InChIKey is MMTVVYVYUCXAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-20-12-5-4-9-6-11(3-2-10(9)7-12)14(19)13(18)8-16-17-15/h2-7,13-14,18-19H,8H2,1H3.
What are the key properties of 3-azido-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol?
3-azido-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol has a molecular weight of 273.29 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol is sourced from PubChem (CID 170826831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).