(2R)-2-azido-3-(4-methoxyphenoxy)propan-1-ol

C10H13N3O3 — CID 11053274

IUPAC(2R)-2-azido-3-(4-methoxyphenoxy)propan-1-ol
SMILESCOc1ccc(OC[C@@H](CO)N=[N+]=[N-])cc1
InChIInChI=1S/C10H13N3O3/c1-15-9-2-4-10(5-3-9)16-7-8(6-14)12-13-11/h2-5,8,14H,6-7H2,1H3/t8-/m1/s1
InChIKeyQZMMXJLBWUDLJG-MRVPVSSYSA-N
MW223.23 g/mol
LogP1.75
Rot. Bonds6

About (2R)-2-azido-3-(4-methoxyphenoxy)propan-1-ol

(2R)-2-azido-3-(4-methoxyphenoxy)propan-1-ol (PubChem CID 11053274) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is (2R)-2-azido-3-(4-methoxyphenoxy)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-azido-3-(4-methoxyphenoxy)propan-1-ol
PubChem CID11053274
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name(2R)-2-azido-3-(4-methoxyphenoxy)propan-1-ol
SMILESCOc1ccc(OC[C@@H](CO)N=[N+]=[N-])cc1
InChIInChI=1S/C10H13N3O3/c1-15-9-2-4-10(5-3-9)16-7-8(6-14)12-13-11/h2-5,8,14H,6-7H2,1H3/t8-/m1/s1
InChIKeyQZMMXJLBWUDLJG-MRVPVSSYSA-N
XLogP1.75
TPSA87.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.75
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'}

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Related Compounds

1-azido-3-(4-methoxyphenoxy)propan-2-ol
CID 71340918
2-azido-1-(4-methoxyphenyl)propane-1,3-diol
CID 121485278
1-(1-azidoethyl)-4-methoxybenzene
CID 13330258
(2S)-2-azido-3-phenylmethoxypropan-1-ol
CID 10632133
(4-methoxyphenoxy)methanol
CID 20580272
(2R)-2-azido-3-[(1R,2S,3R,4R,5S,6S)-2-[(4-methoxyphenyl)methoxy]-4,5,6-tris(phenylmethoxy)-3-[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxycyclohexyl]oxypropan-1-ol
CID 11423426
methyl 2-azido-3-(4-methoxyphenyl)propanoate
CID 10444067
(2-azido-3-hydroxypropyl) benzoate
CID 59511065
2-azido-2-(4-methoxyphenyl)acetic acid
CID 122606952
(2S)-1-(4-methoxyphenoxy)propan-2-amine
CID 7263362
2-fluoro-3-(4-methoxyphenoxy)propan-1-amine
CID 105452034
4-(4-methoxyphenoxy)-3-methylbutanoic acid
CID 112508051

Frequently Asked Questions

What is the IUPAC name of (2R)-2-azido-3-(4-methoxyphenoxy)propan-1-ol?
The IUPAC name of (2R)-2-azido-3-(4-methoxyphenoxy)propan-1-ol (CID 11053274) is (2R)-2-azido-3-(4-methoxyphenoxy)propan-1-ol.
What is the SMILES notation for (2R)-2-azido-3-(4-methoxyphenoxy)propan-1-ol?
The canonical SMILES for (2R)-2-azido-3-(4-methoxyphenoxy)propan-1-ol is COc1ccc(OC[C@@H](CO)N=[N+]=[N-])cc1.
What is the InChIKey of (2R)-2-azido-3-(4-methoxyphenoxy)propan-1-ol?
The InChIKey is QZMMXJLBWUDLJG-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-15-9-2-4-10(5-3-9)16-7-8(6-14)12-13-11/h2-5,8,14H,6-7H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-2-azido-3-(4-methoxyphenoxy)propan-1-ol?
(2R)-2-azido-3-(4-methoxyphenoxy)propan-1-ol has a molecular weight of 223.23 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-azido-3-(4-methoxyphenoxy)propan-1-ol is sourced from PubChem (CID 11053274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).