cyclobutylmethyl phenyl carbonate

C12H14O3 — CID 67717411

IUPACcyclobutylmethyl phenyl carbonate
SMILESO=C(OCC1CCC1)Oc1ccccc1
InChIInChI=1S/C12H14O3/c13-12(14-9-10-5-4-6-10)15-11-7-2-1-3-8-11/h1-3,7-8,10H,4-6,9H2
InChIKeyBUSQCCGHZVAAPU-UHFFFAOYSA-N
MW206.24 g/mol
LogP3.00
Rot. Bonds3

About cyclobutylmethyl phenyl carbonate

cyclobutylmethyl phenyl carbonate (PubChem CID 67717411) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is cyclobutylmethyl phenyl carbonate.

Molecular Properties

Compound Namecyclobutylmethyl phenyl carbonate
PubChem CID67717411
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Namecyclobutylmethyl phenyl carbonate
SMILESO=C(OCC1CCC1)Oc1ccccc1
InChIInChI=1S/C12H14O3/c13-12(14-9-10-5-4-6-10)15-11-7-2-1-3-8-11/h1-3,7-8,10H,4-6,9H2
InChIKeyBUSQCCGHZVAAPU-UHFFFAOYSA-N
XLogP3.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 53.00
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-(aminomethyl)cyclopentyl]methyl phenyl carbonate
CID 79337670
[(2S,4S)-4-(phenoxycarbonyloxymethyl)thietan-2-yl]methyl phenyl carbonate
CID 54043254
[1-acetyl-4-(phenoxycarbonyloxymethyl)azetidin-2-yl]methyl phenyl carbonate
CID 67708549
cyclohexylmethoxybenzene
CID 14399287
(dimethylamino)methyl phenyl carbonate
CID 59882405
cyclohexane-1,4-diamine;phenyl acetate
CID 160761577
cyclohexylmethyl 2-hydroxy-2,2-diphenylacetate
CID 7191546
cyclohexylmethyl (2S)-2-phenylpropanoate
CID 134967383
cyclobutylmethyl 2-(3-aminophenoxy)acetate
CID 65457241
2-(cyclohexylmethoxy)-3-phenylprop-2-enoic acid
CID 54385999
cyclohexylmethyl 2-amino-3-phenylpropanoate
CID 62383262
trans-diphenyl (1R,2R)-cyclohexane-1,2-dicarboxylate
CID 15685593

Frequently Asked Questions

What is the IUPAC name of cyclobutylmethyl phenyl carbonate?
The IUPAC name of cyclobutylmethyl phenyl carbonate (CID 67717411) is cyclobutylmethyl phenyl carbonate.
What is the SMILES notation for cyclobutylmethyl phenyl carbonate?
The canonical SMILES for cyclobutylmethyl phenyl carbonate is O=C(OCC1CCC1)Oc1ccccc1.
What is the InChIKey of cyclobutylmethyl phenyl carbonate?
The InChIKey is BUSQCCGHZVAAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c13-12(14-9-10-5-4-6-10)15-11-7-2-1-3-8-11/h1-3,7-8,10H,4-6,9H2.
What are the key properties of cyclobutylmethyl phenyl carbonate?
cyclobutylmethyl phenyl carbonate has a molecular weight of 206.24 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutylmethyl phenyl carbonate is sourced from PubChem (CID 67717411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).