tert-butyl (4-methylphenyl)methyl carbonate

C13H18O3 — CID 25140703

IUPACtert-butyl (4-methylphenyl)methyl carbonate
SMILESCc1ccc(COC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C13H18O3/c1-10-5-7-11(8-6-10)9-15-12(14)16-13(2,3)4/h5-8H,9H2,1-4H3
InChIKeySLCADRAIKPTGPU-UHFFFAOYSA-N
MW222.28 g/mol
LogP3.45
Rot. Bonds2

About tert-butyl (4-methylphenyl)methyl carbonate

tert-butyl (4-methylphenyl)methyl carbonate (PubChem CID 25140703) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is tert-butyl (4-methylphenyl)methyl carbonate.

Molecular Properties

Compound Nametert-butyl (4-methylphenyl)methyl carbonate
PubChem CID25140703
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Nametert-butyl (4-methylphenyl)methyl carbonate
SMILESCc1ccc(COC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C13H18O3/c1-10-5-7-11(8-6-10)9-15-12(14)16-13(2,3)4/h5-8H,9H2,1-4H3
InChIKeySLCADRAIKPTGPU-UHFFFAOYSA-N
XLogP3.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

iodo (4-methylphenyl)methyl carbonate
CID 170151158
(2,5-dihydroxypyrrol-1-yl) (4-methylphenyl)methyl carbonate
CID 91471476
methane;[4-(4-methylphenyl)phenyl]methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 162046424
(4-methylphenyl)methyl (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 51340785
(4-tert-butylphenyl)methyl 4-methylbenzoate
CID 926039
(4-methylphenyl)methyl 2-chloroacetate
CID 11275652
(4-methylphenyl)methyl N-aminocarbamate
CID 13494891
1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 12709980
(4-methylphenyl)methyl 2-[hydroxy-[2-[(4-methylphenyl)methoxy]-2-oxoethyl]amino]acetate
CID 144833958
1-O-ethyl 4-O-[(4-methylphenyl)methyl] butanedioate
CID 91703852
(4-methylphenyl)methyl (2S)-2,3-dimethylbutanoate
CID 59174150
(4-methylphenyl)methyl 2-hydroxy-2-phenylpropanoate
CID 177256002

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4-methylphenyl)methyl carbonate?
The IUPAC name of tert-butyl (4-methylphenyl)methyl carbonate (CID 25140703) is tert-butyl (4-methylphenyl)methyl carbonate.
What is the SMILES notation for tert-butyl (4-methylphenyl)methyl carbonate?
The canonical SMILES for tert-butyl (4-methylphenyl)methyl carbonate is Cc1ccc(COC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl (4-methylphenyl)methyl carbonate?
The InChIKey is SLCADRAIKPTGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-10-5-7-11(8-6-10)9-15-12(14)16-13(2,3)4/h5-8H,9H2,1-4H3.
What are the key properties of tert-butyl (4-methylphenyl)methyl carbonate?
tert-butyl (4-methylphenyl)methyl carbonate has a molecular weight of 222.28 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4-methylphenyl)methyl carbonate is sourced from PubChem (CID 25140703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).