[3-(2-azidoethoxy)phenyl]methanol

C9H11N3O2 — CID 59552460

IUPAC[3-(2-azidoethoxy)phenyl]methanol
SMILES[N-]=[N+]=NCCOc1cccc(CO)c1
InChIInChI=1S/C9H11N3O2/c10-12-11-4-5-14-9-3-1-2-8(6-9)7-13/h1-3,6,13H,4-5,7H2
InChIKeyWBKHWRVSTKMAJU-UHFFFAOYSA-N
MW193.21 g/mol
LogP1.87
Rot. Bonds5

About [3-(2-azidoethoxy)phenyl]methanol

[3-(2-azidoethoxy)phenyl]methanol (PubChem CID 59552460) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is [3-(2-azidoethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-(2-azidoethoxy)phenyl]methanol
PubChem CID59552460
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name[3-(2-azidoethoxy)phenyl]methanol
SMILES[N-]=[N+]=NCCOc1cccc(CO)c1
InChIInChI=1S/C9H11N3O2/c10-12-11-4-5-14-9-3-1-2-8(6-9)7-13/h1-3,6,13H,4-5,7H2
InChIKeyWBKHWRVSTKMAJU-UHFFFAOYSA-N
XLogP1.87
TPSA78.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

1-[2-(2-azidoethoxy)ethoxy]-3-(iodomethyl)benzene
CID 175804150
[3-(3-chloropropoxy)phenyl]methanol
CID 15724711
methyl (2R)-2-amino-3-[[3-(2-azidoethoxy)phenyl]methylsulfanyl]propanoate
CID 158918735
2-[3-(hydroxymethyl)phenoxy]ethyl carbamate
CID 175060883
ethane;[3-(2-fluoroethoxy)phenyl]methanol
CID 144572015
[4-(2-azidoethoxy)-3-methoxyphenyl]methanol
CID 20769149
[3-(fluoromethoxy)phenyl]methanol
CID 130445893
4-[3-(hydroxymethyl)phenoxy]butanamide
CID 123197567
4-(2-azidoethoxy)-1,2-dichlorobenzene
CID 61397043
3-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoic acid
CID 70934822
[3-[(3-chlorophenyl)methoxy]phenyl]methanol
CID 28562037
[3-(2-butoxyethoxy)phenyl]methanol
CID 61483192

Frequently Asked Questions

What is the IUPAC name of [3-(2-azidoethoxy)phenyl]methanol?
The IUPAC name of [3-(2-azidoethoxy)phenyl]methanol (CID 59552460) is [3-(2-azidoethoxy)phenyl]methanol.
What is the SMILES notation for [3-(2-azidoethoxy)phenyl]methanol?
The canonical SMILES for [3-(2-azidoethoxy)phenyl]methanol is [N-]=[N+]=NCCOc1cccc(CO)c1.
What is the InChIKey of [3-(2-azidoethoxy)phenyl]methanol?
The InChIKey is WBKHWRVSTKMAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c10-12-11-4-5-14-9-3-1-2-8(6-9)7-13/h1-3,6,13H,4-5,7H2.
What are the key properties of [3-(2-azidoethoxy)phenyl]methanol?
[3-(2-azidoethoxy)phenyl]methanol has a molecular weight of 193.21 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-azidoethoxy)phenyl]methanol is sourced from PubChem (CID 59552460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).