2-(6-diazo-3-phenyliminocyclohexen-1-yl)oxyethyl-hydroxy-oxophosphanium

C14H15N3O3P+ — CID 57120772

IUPAC2-(6-diazo-3-phenyliminocyclohexen-1-yl)oxyethyl-hydroxy-oxophosphanium
SMILES[N-]=[N+]=C1CC/C(=N\c2ccccc2)C=C1OCC[P+](=O)O
InChIInChI=1S/C14H14N3O3P/c15-17-13-7-6-12(16-11-4-2-1-3-5-11)10-14(13)20-8-9-21(18)19/h1-5,10H,6-9H2/p+1/b16-12+
InChIKeyHHSUVJSIGWRLRP-FOWTUZBSSA-O
MW304.27 g/mol
LogP2.86
Rot. Bonds5

About 2-(6-diazo-3-phenyliminocyclohexen-1-yl)oxyethyl-hydroxy-oxophosphanium

2-(6-diazo-3-phenyliminocyclohexen-1-yl)oxyethyl-hydroxy-oxophosphanium (PubChem CID 57120772) has the molecular formula C14H15N3O3P+ and a molecular weight of 304.27 g/mol. Its IUPAC name is 2-(6-diazo-3-phenyliminocyclohexen-1-yl)oxyethyl-hydroxy-oxophosphanium.

Molecular Properties

Compound Name2-(6-diazo-3-phenyliminocyclohexen-1-yl)oxyethyl-hydroxy-oxophosphanium
PubChem CID57120772
Molecular FormulaC14H15N3O3P+
Molecular Weight304.27 g/mol
Exact Mass304.08
IUPAC Name2-(6-diazo-3-phenyliminocyclohexen-1-yl)oxyethyl-hydroxy-oxophosphanium
SMILES[N-]=[N+]=C1CC/C(=N\c2ccccc2)C=C1OCC[P+](=O)O
InChIInChI=1S/C14H14N3O3P/c15-17-13-7-6-12(16-11-4-2-1-3-5-11)10-14(13)20-8-9-21(18)19/h1-5,10H,6-9H2/p+1/b16-12+
InChIKeyHHSUVJSIGWRLRP-FOWTUZBSSA-O
XLogP2.86
TPSA95.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(3-diazo-6-phenyliminocyclohexen-1-yl)phosphonic acid
CID 57235169
4-diazo-2,5-diethoxy-N-phenylcyclohexa-1,5-diene-1-carboxamide
CID 88832876
2-[2-diazo-5-phenylimino-4-(2-phosphonoethyl)cyclohex-3-en-1-yl]ethylphosphonic acid
CID 57269219
3,5,5-trimethyl-N-phenylcyclohex-2-en-1-imine
CID 101056591
hydroxy-oxo-(2-phenoxyethoxy)phosphanium
CID 126570180
N-(2-chloro-4-diazo-5-methoxycyclohexa-1,5-dien-1-yl)benzamide
CID 154425223
hydroxy-[[hydroxy(oxo)silyl]oxy-phenylmethyl]-oxophosphanium
CID 70398699
N-(2,5-dibutoxy-4-diazocyclohexa-2,5-dien-1-ylidene)benzamide
CID 138398270
azidobenzene;2-methylidenecyclohexan-1-one
CID 174451839
CID 10067126
CID 10067126
4-phenyliminocyclohexan-1-ol
CID 19962596
methyl 3-methoxy-2-(5-phenylimino-6H-1-benzothiophen-3-yl)prop-2-enoate
CID 67797336

Frequently Asked Questions

What is the IUPAC name of 2-(6-diazo-3-phenyliminocyclohexen-1-yl)oxyethyl-hydroxy-oxophosphanium?
The IUPAC name of 2-(6-diazo-3-phenyliminocyclohexen-1-yl)oxyethyl-hydroxy-oxophosphanium (CID 57120772) is 2-(6-diazo-3-phenyliminocyclohexen-1-yl)oxyethyl-hydroxy-oxophosphanium.
What is the SMILES notation for 2-(6-diazo-3-phenyliminocyclohexen-1-yl)oxyethyl-hydroxy-oxophosphanium?
The canonical SMILES for 2-(6-diazo-3-phenyliminocyclohexen-1-yl)oxyethyl-hydroxy-oxophosphanium is [N-]=[N+]=C1CC/C(=N\c2ccccc2)C=C1OCC[P+](=O)O.
What is the InChIKey of 2-(6-diazo-3-phenyliminocyclohexen-1-yl)oxyethyl-hydroxy-oxophosphanium?
The InChIKey is HHSUVJSIGWRLRP-FOWTUZBSSA-O. The full InChI is InChI=1S/C14H14N3O3P/c15-17-13-7-6-12(16-11-4-2-1-3-5-11)10-14(13)20-8-9-21(18)19/h1-5,10H,6-9H2/p+1/b16-12+.
What are the key properties of 2-(6-diazo-3-phenyliminocyclohexen-1-yl)oxyethyl-hydroxy-oxophosphanium?
2-(6-diazo-3-phenyliminocyclohexen-1-yl)oxyethyl-hydroxy-oxophosphanium has a molecular weight of 304.27 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-diazo-3-phenyliminocyclohexen-1-yl)oxyethyl-hydroxy-oxophosphanium is sourced from PubChem (CID 57120772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).