[4-(azidomethyl)phenoxy]-chloro-oxophosphanium

C7H6ClN3O2P+ — CID 118019518

IUPAC[4-(azidomethyl)phenoxy]-chloro-oxophosphanium
SMILES[N-]=[N+]=NCc1ccc(O[P+](=O)Cl)cc1
InChIInChI=1S/C7H6ClN3O2P/c8-14(12)13-7-3-1-6(2-4-7)5-10-11-9/h1-4H,5H2/q+1
InChIKeyODBKBVGXRFJEIB-UHFFFAOYSA-N
MW230.57 g/mol
LogP3.77
Rot. Bonds4

About [4-(azidomethyl)phenoxy]-chloro-oxophosphanium

[4-(azidomethyl)phenoxy]-chloro-oxophosphanium (PubChem CID 118019518) has the molecular formula C7H6ClN3O2P+ and a molecular weight of 230.57 g/mol. Its IUPAC name is [4-(azidomethyl)phenoxy]-chloro-oxophosphanium.

Molecular Properties

Compound Name[4-(azidomethyl)phenoxy]-chloro-oxophosphanium
PubChem CID118019518
Molecular FormulaC7H6ClN3O2P+
Molecular Weight230.57 g/mol
Exact Mass229.99
IUPAC Name[4-(azidomethyl)phenoxy]-chloro-oxophosphanium
SMILES[N-]=[N+]=NCc1ccc(O[P+](=O)Cl)cc1
InChIInChI=1S/C7H6ClN3O2P/c8-14(12)13-7-3-1-6(2-4-7)5-10-11-9/h1-4H,5H2/q+1
InChIKeyODBKBVGXRFJEIB-UHFFFAOYSA-N
XLogP3.77
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.57
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-(azidomethyl)-4-(chloromethyl)benzene
CID 102388598
1-(azidomethyl)-4-propan-2-yloxybenzene
CID 151785938
2,2,4,4,6,6-hexakis[4-(azidomethyl)phenoxy]-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
CID 25149547
1-(azidomethyl)-4-fluorobenzene
CID 11205864
4-(azidomethyl)benzaldehyde
CID 57444853
1-(azidomethyl)-4-isothiocyanatobenzene
CID 151143822
2-[4-(azidomethyl)phenyl]propanal
CID 123611032
2,15-bis(azidomethyl)hexahelicene
CID 122363421
1-(azidomethyl)-4-[(1-methoxycyclopropyl)methyl]benzene
CID 117109168
N-[[4-(azidomethyl)phenyl]methylidene]hydroxylamine
CID 76540150
1-(azidomethyl)-4-[2-[4-(azidomethyl)phenyl]-1,2-diphenylethenyl]benzene
CID 72565768
1-(azidomethyl)-4-(2-azidopropan-2-yl)benzene
CID 132524710

Frequently Asked Questions

What is the IUPAC name of [4-(azidomethyl)phenoxy]-chloro-oxophosphanium?
The IUPAC name of [4-(azidomethyl)phenoxy]-chloro-oxophosphanium (CID 118019518) is [4-(azidomethyl)phenoxy]-chloro-oxophosphanium.
What is the SMILES notation for [4-(azidomethyl)phenoxy]-chloro-oxophosphanium?
The canonical SMILES for [4-(azidomethyl)phenoxy]-chloro-oxophosphanium is [N-]=[N+]=NCc1ccc(O[P+](=O)Cl)cc1.
What is the InChIKey of [4-(azidomethyl)phenoxy]-chloro-oxophosphanium?
The InChIKey is ODBKBVGXRFJEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3O2P/c8-14(12)13-7-3-1-6(2-4-7)5-10-11-9/h1-4H,5H2/q+1.
What are the key properties of [4-(azidomethyl)phenoxy]-chloro-oxophosphanium?
[4-(azidomethyl)phenoxy]-chloro-oxophosphanium has a molecular weight of 230.57 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(azidomethyl)phenoxy]-chloro-oxophosphanium is sourced from PubChem (CID 118019518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).