(dicyclohexylamino) phenyl hydrogen phosphate

C18H28NO4P — CID 23023270

IUPAC(dicyclohexylamino) phenyl hydrogen phosphate
SMILESO=P(O)(Oc1ccccc1)ON(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H28NO4P/c20-24(21,22-18-14-8-3-9-15-18)23-19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h3,8-9,14-17H,1-2,4-7,10-13H2,(H,20,21)
InChIKeyCECHVCXOELQOQU-UHFFFAOYSA-N
MW353.40 g/mol
LogP5.06
Rot. Bonds6

About (dicyclohexylamino) phenyl hydrogen phosphate

(dicyclohexylamino) phenyl hydrogen phosphate (PubChem CID 23023270) has the molecular formula C18H28NO4P and a molecular weight of 353.40 g/mol. Its IUPAC name is (dicyclohexylamino) phenyl hydrogen phosphate.

Molecular Properties

Compound Name(dicyclohexylamino) phenyl hydrogen phosphate
PubChem CID23023270
Molecular FormulaC18H28NO4P
Molecular Weight353.40 g/mol
Exact Mass353.18
IUPAC Name(dicyclohexylamino) phenyl hydrogen phosphate
SMILESO=P(O)(Oc1ccccc1)ON(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H28NO4P/c20-24(21,22-18-14-8-3-9-15-18)23-19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h3,8-9,14-17H,1-2,4-7,10-13H2,(H,20,21)
InChIKeyCECHVCXOELQOQU-UHFFFAOYSA-N
XLogP5.06
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.40
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

diphenyl hydrogen phosphate;dihydrate
CID 21115845
tris(diphenyl hydrogen phosphate);phosphane
CID 172751224
diphenyl hydrogen phosphate;silane
CID 175425543
chloroform;diphenyl hydrogen phosphate
CID 174899919
dichloromethane;diphenyl hydrogen phosphate;hydrochloride
CID 174445960
phenyl (N-phenylanilino) hydrogen phosphate
CID 140553969
diphenyl hydrogen phosphate;1,3,5-triazine-2,4,6-triamine
CID 67592807
methane;phenyl phosphono hydrogen phosphate
CID 88820079
hydroxy phenyl hydrogen phosphate
CID 19103302
diphenyl hydrogen phosphate;N-phenylaniline
CID 172852100
[cyclohexyl(phenyl)phosphoryl]oxybenzene
CID 174639588
phenyl (2-phenylphenyl) hydrogen phosphate
CID 21401890

Frequently Asked Questions

What is the IUPAC name of (dicyclohexylamino) phenyl hydrogen phosphate?
The IUPAC name of (dicyclohexylamino) phenyl hydrogen phosphate (CID 23023270) is (dicyclohexylamino) phenyl hydrogen phosphate.
What is the SMILES notation for (dicyclohexylamino) phenyl hydrogen phosphate?
The canonical SMILES for (dicyclohexylamino) phenyl hydrogen phosphate is O=P(O)(Oc1ccccc1)ON(C1CCCCC1)C1CCCCC1.
What is the InChIKey of (dicyclohexylamino) phenyl hydrogen phosphate?
The InChIKey is CECHVCXOELQOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28NO4P/c20-24(21,22-18-14-8-3-9-15-18)23-19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h3,8-9,14-17H,1-2,4-7,10-13H2,(H,20,21).
What are the key properties of (dicyclohexylamino) phenyl hydrogen phosphate?
(dicyclohexylamino) phenyl hydrogen phosphate has a molecular weight of 353.40 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (dicyclohexylamino) phenyl hydrogen phosphate is sourced from PubChem (CID 23023270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).