[4-(3-azidopropoxy)-3-methoxyphenyl]methanol

C11H15N3O3 — CID 107744213

IUPAC[4-(3-azidopropoxy)-3-methoxyphenyl]methanol
SMILESCOc1cc(CO)ccc1OCCCN=[N+]=[N-]
InChIInChI=1S/C11H15N3O3/c1-16-11-7-9(8-15)3-4-10(11)17-6-2-5-13-14-12/h3-4,7,15H,2,5-6,8H2,1H3
InChIKeyRTBJCSMEDFDQDW-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.27
Rot. Bonds7

About [4-(3-azidopropoxy)-3-methoxyphenyl]methanol

[4-(3-azidopropoxy)-3-methoxyphenyl]methanol (PubChem CID 107744213) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is [4-(3-azidopropoxy)-3-methoxyphenyl]methanol.

Molecular Properties

Compound Name[4-(3-azidopropoxy)-3-methoxyphenyl]methanol
PubChem CID107744213
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name[4-(3-azidopropoxy)-3-methoxyphenyl]methanol
SMILESCOc1cc(CO)ccc1OCCCN=[N+]=[N-]
InChIInChI=1S/C11H15N3O3/c1-16-11-7-9(8-15)3-4-10(11)17-6-2-5-13-14-12/h3-4,7,15H,2,5-6,8H2,1H3
InChIKeyRTBJCSMEDFDQDW-UHFFFAOYSA-N
XLogP2.27
TPSA87.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.27
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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Related Compounds

[4-(2-azidoethoxy)-3-methoxyphenyl]methanol
CID 20769149
4-(3-azidopropoxy)-3-methoxybenzaldehyde
CID 54769990
[4-(2-butoxyethoxy)-3-methoxyphenyl]methanol
CID 61035977
[4-(3-ethylsulfanylpropoxy)-3-methoxyphenyl]methanol
CID 115659185
[3-methoxy-4-(2-phenylethoxy)phenyl]methanol
CID 28562144
N'-hydroxy-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanimidamide
CID 107743240
[4-ethoxy-3-(3-methoxypropoxy)phenyl]methanol
CID 143066572
(3-hexoxy-4-methoxyphenyl)methanol
CID 29006684
5-[4-(hydroxymethyl)-2-methoxyphenoxy]-2,2-dimethylpentanethioamide
CID 107743132
3-azido-1-[5-(hydroxymethyl)-2-methoxyphenyl]propane-1,2-diol
CID 170826312
(3-methoxy-4-phosphanyloxyphenyl)methanol
CID 89023367
5-[5-(hydroxymethyl)-2-methoxyphenoxy]pentanamide
CID 114281672

Frequently Asked Questions

What is the IUPAC name of [4-(3-azidopropoxy)-3-methoxyphenyl]methanol?
The IUPAC name of [4-(3-azidopropoxy)-3-methoxyphenyl]methanol (CID 107744213) is [4-(3-azidopropoxy)-3-methoxyphenyl]methanol.
What is the SMILES notation for [4-(3-azidopropoxy)-3-methoxyphenyl]methanol?
The canonical SMILES for [4-(3-azidopropoxy)-3-methoxyphenyl]methanol is COc1cc(CO)ccc1OCCCN=[N+]=[N-].
What is the InChIKey of [4-(3-azidopropoxy)-3-methoxyphenyl]methanol?
The InChIKey is RTBJCSMEDFDQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-16-11-7-9(8-15)3-4-10(11)17-6-2-5-13-14-12/h3-4,7,15H,2,5-6,8H2,1H3.
What are the key properties of [4-(3-azidopropoxy)-3-methoxyphenyl]methanol?
[4-(3-azidopropoxy)-3-methoxyphenyl]methanol has a molecular weight of 237.26 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-azidopropoxy)-3-methoxyphenyl]methanol is sourced from PubChem (CID 107744213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).