[cyclohexyl(phenyl)phosphoryl]oxybenzene

C18H21O2P — CID 174639588

IUPAC[cyclohexyl(phenyl)phosphoryl]oxybenzene
SMILESO=P(Oc1ccccc1)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C18H21O2P/c19-21(17-12-6-2-7-13-17,18-14-8-3-9-15-18)20-16-10-4-1-5-11-16/h1-2,4-7,10-13,18H,3,8-9,14-15H2
InChIKeyGKKFWSVDLBGPKG-UHFFFAOYSA-N
MW300.34 g/mol
LogP5.00
Rot. Bonds4

About [cyclohexyl(phenyl)phosphoryl]oxybenzene

[cyclohexyl(phenyl)phosphoryl]oxybenzene (PubChem CID 174639588) has the molecular formula C18H21O2P and a molecular weight of 300.34 g/mol. Its IUPAC name is [cyclohexyl(phenyl)phosphoryl]oxybenzene.

Molecular Properties

Compound Name[cyclohexyl(phenyl)phosphoryl]oxybenzene
PubChem CID174639588
Molecular FormulaC18H21O2P
Molecular Weight300.34 g/mol
Exact Mass300.13
IUPAC Name[cyclohexyl(phenyl)phosphoryl]oxybenzene
SMILESO=P(Oc1ccccc1)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C18H21O2P/c19-21(17-12-6-2-7-13-17,18-14-8-3-9-15-18)20-16-10-4-1-5-11-16/h1-2,4-7,10-13,18H,3,8-9,14-15H2
InChIKeyGKKFWSVDLBGPKG-UHFFFAOYSA-N
XLogP5.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.34
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1R,2S)-2-diphenoxyphosphoryloxycyclohexyl] diphenyl phosphate
CID 98141630
1,3-bis(dicyclohexylphosphoryloxy)benzene
CID 54046886
[(1R,2R)-2-hydroxycyclohexyl] diphenyl phosphate
CID 165353141
[cyclohexyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene
CID 139080801
dicyclohexyl(phenyl)phosphane;dicyclohexylphosphorylbenzene
CID 161477037
1-cyclohexylethenyl diphenyl phosphate
CID 102084155
cyclohexyl-ethylsulfanyl-phenoxy-sulfanylidene-λ5-phosphane
CID 165353283
(dicyclohexylamino) phenyl hydrogen phosphate
CID 23023270
[cyclopentyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene
CID 11617205
1-cyclohexyl-2-[(2-cyclohexylphenoxy)-phenylphosphoryl]oxybenzene
CID 87156210
[cyclopropyl(methyl)phosphoryl]benzene
CID 601643
1-[cyclohexyl-(4-fluorophenoxy)phosphoryl]oxy-4-fluorobenzene
CID 126689211

Frequently Asked Questions

What is the IUPAC name of [cyclohexyl(phenyl)phosphoryl]oxybenzene?
The IUPAC name of [cyclohexyl(phenyl)phosphoryl]oxybenzene (CID 174639588) is [cyclohexyl(phenyl)phosphoryl]oxybenzene.
What is the SMILES notation for [cyclohexyl(phenyl)phosphoryl]oxybenzene?
The canonical SMILES for [cyclohexyl(phenyl)phosphoryl]oxybenzene is O=P(Oc1ccccc1)(c1ccccc1)C1CCCCC1.
What is the InChIKey of [cyclohexyl(phenyl)phosphoryl]oxybenzene?
The InChIKey is GKKFWSVDLBGPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21O2P/c19-21(17-12-6-2-7-13-17,18-14-8-3-9-15-18)20-16-10-4-1-5-11-16/h1-2,4-7,10-13,18H,3,8-9,14-15H2.
What are the key properties of [cyclohexyl(phenyl)phosphoryl]oxybenzene?
[cyclohexyl(phenyl)phosphoryl]oxybenzene has a molecular weight of 300.34 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexyl(phenyl)phosphoryl]oxybenzene is sourced from PubChem (CID 174639588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).