[cyclohexylsulfanyl(ethoxy)phosphoryl]oxybenzene

C14H21O3PS — CID 137470215

IUPAC[cyclohexylsulfanyl(ethoxy)phosphoryl]oxybenzene
SMILESCCOP(=O)(Oc1ccccc1)SC1CCCCC1
InChIInChI=1S/C14H21O3PS/c1-2-16-18(15,17-13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3,5-6,9-10,14H,2,4,7-8,11-12H2,1H3
InChIKeyNKECOEGWBVKGOC-UHFFFAOYSA-N
MW300.36 g/mol
LogP5.28
Rot. Bonds6

About [cyclohexylsulfanyl(ethoxy)phosphoryl]oxybenzene

[cyclohexylsulfanyl(ethoxy)phosphoryl]oxybenzene (PubChem CID 137470215) has the molecular formula C14H21O3PS and a molecular weight of 300.36 g/mol. Its IUPAC name is [cyclohexylsulfanyl(ethoxy)phosphoryl]oxybenzene.

Molecular Properties

Compound Name[cyclohexylsulfanyl(ethoxy)phosphoryl]oxybenzene
PubChem CID137470215
Molecular FormulaC14H21O3PS
Molecular Weight300.36 g/mol
Exact Mass300.09
IUPAC Name[cyclohexylsulfanyl(ethoxy)phosphoryl]oxybenzene
SMILESCCOP(=O)(Oc1ccccc1)SC1CCCCC1
InChIInChI=1S/C14H21O3PS/c1-2-16-18(15,17-13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3,5-6,9-10,14H,2,4,7-8,11-12H2,1H3
InChIKeyNKECOEGWBVKGOC-UHFFFAOYSA-N
XLogP5.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.36
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Propaphos
CID 23717
Diphenyl chlorophosphate
CID 75654
Dibutyl phenyl phosphate
CID 17312
Phosphoric acid, diphenyl ester
CID 13282
Diphenyl methylphosphonate
CID 82027
Diphenyl phosphite
CID 62550
Methyl diphenyl phosphate
CID 8291
5,5-Dimethyl-2-phenoxy-1,3,2-dioxaphosphinane
CID 76464
Diphenyl octyl phosphate
CID 8290
Dietholate
CID 36106
Butyl diphenyl phosphate
CID 17682
Phenoxy(phenyl)phosphinic acid
CID 230483

Frequently Asked Questions

What is the IUPAC name of [cyclohexylsulfanyl(ethoxy)phosphoryl]oxybenzene?
The IUPAC name of [cyclohexylsulfanyl(ethoxy)phosphoryl]oxybenzene (CID 137470215) is [cyclohexylsulfanyl(ethoxy)phosphoryl]oxybenzene.
What is the SMILES notation for [cyclohexylsulfanyl(ethoxy)phosphoryl]oxybenzene?
The canonical SMILES for [cyclohexylsulfanyl(ethoxy)phosphoryl]oxybenzene is CCOP(=O)(Oc1ccccc1)SC1CCCCC1.
What is the InChIKey of [cyclohexylsulfanyl(ethoxy)phosphoryl]oxybenzene?
The InChIKey is NKECOEGWBVKGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21O3PS/c1-2-16-18(15,17-13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3,5-6,9-10,14H,2,4,7-8,11-12H2,1H3.
What are the key properties of [cyclohexylsulfanyl(ethoxy)phosphoryl]oxybenzene?
[cyclohexylsulfanyl(ethoxy)phosphoryl]oxybenzene has a molecular weight of 300.36 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexylsulfanyl(ethoxy)phosphoryl]oxybenzene is sourced from PubChem (CID 137470215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).