phenyl (2-phenyl-1-propan-2-yloxypropan-2-yl) carbonate

C19H22O4 — CID 118088605

IUPACphenyl (2-phenyl-1-propan-2-yloxypropan-2-yl) carbonate
SMILESCC(C)OCC(C)(OC(=O)Oc1ccccc1)c1ccccc1
InChIInChI=1S/C19H22O4/c1-15(2)21-14-19(3,16-10-6-4-7-11-16)23-18(20)22-17-12-8-5-9-13-17/h4-13,15H,14H2,1-3H3
InChIKeyCAJDBAMBIVLZTN-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.54
Rot. Bonds6

About phenyl (2-phenyl-1-propan-2-yloxypropan-2-yl) carbonate

phenyl (2-phenyl-1-propan-2-yloxypropan-2-yl) carbonate (PubChem CID 118088605) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is phenyl (2-phenyl-1-propan-2-yloxypropan-2-yl) carbonate.

Molecular Properties

Compound Namephenyl (2-phenyl-1-propan-2-yloxypropan-2-yl) carbonate
PubChem CID118088605
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Namephenyl (2-phenyl-1-propan-2-yloxypropan-2-yl) carbonate
SMILESCC(C)OCC(C)(OC(=O)Oc1ccccc1)c1ccccc1
InChIInChI=1S/C19H22O4/c1-15(2)21-14-19(3,16-10-6-4-7-11-16)23-18(20)22-17-12-8-5-9-13-17/h4-13,15H,14H2,1-3H3
InChIKeyCAJDBAMBIVLZTN-UHFFFAOYSA-N
XLogP4.54
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-4-phenyl-1-propan-2-yloxypentan-3-one
CID 55179591
(1-ethoxycarbonyloxy-2-phenylpropan-2-yl) ethyl carbonate
CID 102005654
bis[4-[1-(4-phenoxycarbonyloxyphenyl)-1-phenylethyl]phenyl] carbonate
CID 146554941
(2-methyl-1-phenylpropan-2-yl) phenyl carbonate
CID 71329533
tert-butyl (2S)-2-phenoxycarbonyloxypropanoate
CID 177161092
(1-ethoxy-1-phenylpropyl) phenyl carbonate
CID 118088650
bis[4-(1-methoxy-2-phenylpropan-2-yl)phenyl] carbonate
CID 141468307
phenyl (2R)-2-amino-2-phenylpropanoate
CID 142678159
ethane;methyl phenyl carbonate
CID 91113838
dimethyl carbonate;methyl phenyl carbonate
CID 70311897
2-hydroxy-2-methyl-1-phenyl-3-propan-2-yloxypropan-1-one
CID 19878495
tert-butyl [4-[2-methyl-1-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propyl]phenyl] carbonate
CID 173242244

Frequently Asked Questions

What is the IUPAC name of phenyl (2-phenyl-1-propan-2-yloxypropan-2-yl) carbonate?
The IUPAC name of phenyl (2-phenyl-1-propan-2-yloxypropan-2-yl) carbonate (CID 118088605) is phenyl (2-phenyl-1-propan-2-yloxypropan-2-yl) carbonate.
What is the SMILES notation for phenyl (2-phenyl-1-propan-2-yloxypropan-2-yl) carbonate?
The canonical SMILES for phenyl (2-phenyl-1-propan-2-yloxypropan-2-yl) carbonate is CC(C)OCC(C)(OC(=O)Oc1ccccc1)c1ccccc1.
What is the InChIKey of phenyl (2-phenyl-1-propan-2-yloxypropan-2-yl) carbonate?
The InChIKey is CAJDBAMBIVLZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-15(2)21-14-19(3,16-10-6-4-7-11-16)23-18(20)22-17-12-8-5-9-13-17/h4-13,15H,14H2,1-3H3.
What are the key properties of phenyl (2-phenyl-1-propan-2-yloxypropan-2-yl) carbonate?
phenyl (2-phenyl-1-propan-2-yloxypropan-2-yl) carbonate has a molecular weight of 314.38 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (2-phenyl-1-propan-2-yloxypropan-2-yl) carbonate is sourced from PubChem (CID 118088605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).