[(1R,2R)-2-hydroxycyclohexyl] diphenyl phosphate

C18H21O5P — CID 165353141

IUPAC[(1R,2R)-2-hydroxycyclohexyl] diphenyl phosphate
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)O[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C18H21O5P/c19-17-13-7-8-14-18(17)23-24(20,21-15-9-3-1-4-10-15)22-16-11-5-2-6-12-16/h1-6,9-12,17-19H,7-8,13-14H2/t17-,18-/m1/s1
InChIKeyNHBIXTXJNPWATG-QZTJIDSGSA-N
MW348.33 g/mol
LogP4.57
Rot. Bonds6

About [(1R,2R)-2-hydroxycyclohexyl] diphenyl phosphate

[(1R,2R)-2-hydroxycyclohexyl] diphenyl phosphate (PubChem CID 165353141) has the molecular formula C18H21O5P and a molecular weight of 348.33 g/mol. Its IUPAC name is [(1R,2R)-2-hydroxycyclohexyl] diphenyl phosphate.

Molecular Properties

Compound Name[(1R,2R)-2-hydroxycyclohexyl] diphenyl phosphate
PubChem CID165353141
Molecular FormulaC18H21O5P
Molecular Weight348.33 g/mol
Exact Mass348.11
IUPAC Name[(1R,2R)-2-hydroxycyclohexyl] diphenyl phosphate
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)O[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C18H21O5P/c19-17-13-7-8-14-18(17)23-24(20,21-15-9-3-1-4-10-15)22-16-11-5-2-6-12-16/h1-6,9-12,17-19H,7-8,13-14H2/t17-,18-/m1/s1
InChIKeyNHBIXTXJNPWATG-QZTJIDSGSA-N
XLogP4.57
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
2-diphenylphosphoryloxycyclohexan-1-ol
CID 175340118
2-phenoxycyclooctan-1-ol
CID 22247671
1-cyclohexylethenyl diphenyl phosphate
CID 102084155
diethyl [(1S,2R)-2-hydroxycyclohexyl] phosphate
CID 177390470
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
triphenyl phosphate;hydrate
CID 66881958
[cyclohexyl(phenyl)phosphoryl]oxybenzene
CID 174639588
[(2R,3S,5R,6R)-3,5-dihydroxy-2,4,6-tris(phenylmethoxy)cyclohexyl] diphenyl phosphate
CID 11422539
(2-hydroxycyclopentyl) dihydrogen phosphate
CID 74986939
trans-(1S,2S)-2-(4-phenoxyphenoxy)cyclopentan-1-ol
CID 102735416
tris(diphenyl hydrogen phosphate);phosphane
CID 172751224

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-hydroxycyclohexyl] diphenyl phosphate?
The IUPAC name of [(1R,2R)-2-hydroxycyclohexyl] diphenyl phosphate (CID 165353141) is [(1R,2R)-2-hydroxycyclohexyl] diphenyl phosphate.
What is the SMILES notation for [(1R,2R)-2-hydroxycyclohexyl] diphenyl phosphate?
The canonical SMILES for [(1R,2R)-2-hydroxycyclohexyl] diphenyl phosphate is O=P(Oc1ccccc1)(Oc1ccccc1)O[C@@H]1CCCC[C@H]1O.
What is the InChIKey of [(1R,2R)-2-hydroxycyclohexyl] diphenyl phosphate?
The InChIKey is NHBIXTXJNPWATG-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H21O5P/c19-17-13-7-8-14-18(17)23-24(20,21-15-9-3-1-4-10-15)22-16-11-5-2-6-12-16/h1-6,9-12,17-19H,7-8,13-14H2/t17-,18-/m1/s1.
What are the key properties of [(1R,2R)-2-hydroxycyclohexyl] diphenyl phosphate?
[(1R,2R)-2-hydroxycyclohexyl] diphenyl phosphate has a molecular weight of 348.33 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-hydroxycyclohexyl] diphenyl phosphate is sourced from PubChem (CID 165353141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).