(2-hydroxy-1,2-diphenylethyl) phenyl carbonate

C21H18O4 — CID 139623038

IUPAC(2-hydroxy-1,2-diphenylethyl) phenyl carbonate
SMILESO=C(Oc1ccccc1)OC(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C21H18O4/c22-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)25-21(23)24-18-14-8-3-9-15-18/h1-15,19-20,22H
InChIKeyFXSREVXQFNKYGM-UHFFFAOYSA-N
MW334.37 g/mol
LogP4.68
Rot. Bonds5

About (2-hydroxy-1,2-diphenylethyl) phenyl carbonate

(2-hydroxy-1,2-diphenylethyl) phenyl carbonate (PubChem CID 139623038) has the molecular formula C21H18O4 and a molecular weight of 334.37 g/mol. Its IUPAC name is (2-hydroxy-1,2-diphenylethyl) phenyl carbonate.

Molecular Properties

Compound Name(2-hydroxy-1,2-diphenylethyl) phenyl carbonate
PubChem CID139623038
Molecular FormulaC21H18O4
Molecular Weight334.37 g/mol
Exact Mass334.12
IUPAC Name(2-hydroxy-1,2-diphenylethyl) phenyl carbonate
SMILESO=C(Oc1ccccc1)OC(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C21H18O4/c22-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)25-21(23)24-18-14-8-3-9-15-18/h1-15,19-20,22H
InChIKeyFXSREVXQFNKYGM-UHFFFAOYSA-N
XLogP4.68
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl [(1R,2R)-2-hydroxy-1,2-diphenylethyl] carbonate
CID 23243327
phenyl 3-hydroxy-2-[hydroxy(phenyl)methyl]-3-phenylpropanoate
CID 101200138
[(4-methylphenyl)-phenylmethyl] phenyl carbonate
CID 23655369
phenyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
CID 10978067
phenyl 1,2,2-trichloroethyl carbonate
CID 175415012
phenyl (2R)-2-hydroxy-2-phenylacetate
CID 15685596
phenyl 1,2,2,2-tetrachloroethyl carbonate
CID 67688124
dimethyl carbonate;methyl phenyl carbonate
CID 70311897
ethane;methyl phenyl carbonate
CID 91113838
(2-tert-butylsulfanyl-1-phenylethyl) phenyl carbonate
CID 10426786
[(1R,2R)-2-hydroxy-1,2-diphenylethyl] 4-(trifluoromethyl)benzoate
CID 12002871
[4-(4-phenoxycarbonyloxyphenyl)phenyl] phenyl carbonate
CID 143295310

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-1,2-diphenylethyl) phenyl carbonate?
The IUPAC name of (2-hydroxy-1,2-diphenylethyl) phenyl carbonate (CID 139623038) is (2-hydroxy-1,2-diphenylethyl) phenyl carbonate.
What is the SMILES notation for (2-hydroxy-1,2-diphenylethyl) phenyl carbonate?
The canonical SMILES for (2-hydroxy-1,2-diphenylethyl) phenyl carbonate is O=C(Oc1ccccc1)OC(c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of (2-hydroxy-1,2-diphenylethyl) phenyl carbonate?
The InChIKey is FXSREVXQFNKYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O4/c22-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)25-21(23)24-18-14-8-3-9-15-18/h1-15,19-20,22H.
What are the key properties of (2-hydroxy-1,2-diphenylethyl) phenyl carbonate?
(2-hydroxy-1,2-diphenylethyl) phenyl carbonate has a molecular weight of 334.37 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-1,2-diphenylethyl) phenyl carbonate is sourced from PubChem (CID 139623038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).