(2-methyl-1-phenylpropan-2-yl) phenyl carbonate

C17H18O3 — CID 71329533

IUPAC(2-methyl-1-phenylpropan-2-yl) phenyl carbonate
SMILESCC(C)(Cc1ccccc1)OC(=O)Oc1ccccc1
InChIInChI=1S/C17H18O3/c1-17(2,13-14-9-5-3-6-10-14)20-16(18)19-15-11-7-4-8-12-15/h3-12H,13H2,1-2H3
InChIKeyDMXCXIFDFFKVJC-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.22
Rot. Bonds4

About (2-methyl-1-phenylpropan-2-yl) phenyl carbonate

(2-methyl-1-phenylpropan-2-yl) phenyl carbonate (PubChem CID 71329533) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is (2-methyl-1-phenylpropan-2-yl) phenyl carbonate.

Molecular Properties

Compound Name(2-methyl-1-phenylpropan-2-yl) phenyl carbonate
PubChem CID71329533
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name(2-methyl-1-phenylpropan-2-yl) phenyl carbonate
SMILESCC(C)(Cc1ccccc1)OC(=O)Oc1ccccc1
InChIInChI=1S/C17H18O3/c1-17(2,13-14-9-5-3-6-10-14)20-16(18)19-15-11-7-4-8-12-15/h3-12H,13H2,1-2H3
InChIKeyDMXCXIFDFFKVJC-UHFFFAOYSA-N
XLogP4.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-methyl-1-phenylpropan-2-yl) prop-2-enyl carbonate
CID 102038420
(4-ethenylphenyl) [1-[4-(2-hydroxyethenyl)phenyl]-2-methylpropan-2-yl] carbonate
CID 67428823
(2-methyl-1-phenylpropan-2-yl) N-propan-2-ylcarbamate
CID 66626118
2-(2-methyl-1-phenylpropan-2-yl)oxycarbonylbenzoate
CID 71353605
(3,5-ditert-butylphenyl)methyl phenyl carbonate
CID 13267560
phenyl (3S)-3-hydroxy-4,4-dimethyl-5-phenylpentanoate
CID 15401349
(2-methoxy-2-methylpropyl)benzene
CID 3842751
diphenyl carbonate;ethane;molecular iodine
CID 159087497
diphenyl carbonate;ethoxyethane
CID 67230205
phenyl (2-phenyl-1-propan-2-yloxypropan-2-yl) carbonate
CID 118088605
bis[4-[1-(4-phenoxycarbonyloxyphenyl)-1-phenylethyl]phenyl] carbonate
CID 146554941
3-(2-methyl-2-phenoxypropyl)benzoic acid
CID 134350540

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1-phenylpropan-2-yl) phenyl carbonate?
The IUPAC name of (2-methyl-1-phenylpropan-2-yl) phenyl carbonate (CID 71329533) is (2-methyl-1-phenylpropan-2-yl) phenyl carbonate.
What is the SMILES notation for (2-methyl-1-phenylpropan-2-yl) phenyl carbonate?
The canonical SMILES for (2-methyl-1-phenylpropan-2-yl) phenyl carbonate is CC(C)(Cc1ccccc1)OC(=O)Oc1ccccc1.
What is the InChIKey of (2-methyl-1-phenylpropan-2-yl) phenyl carbonate?
The InChIKey is DMXCXIFDFFKVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-17(2,13-14-9-5-3-6-10-14)20-16(18)19-15-11-7-4-8-12-15/h3-12H,13H2,1-2H3.
What are the key properties of (2-methyl-1-phenylpropan-2-yl) phenyl carbonate?
(2-methyl-1-phenylpropan-2-yl) phenyl carbonate has a molecular weight of 270.33 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1-phenylpropan-2-yl) phenyl carbonate is sourced from PubChem (CID 71329533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).