(2-butan-2-yloxy-1-phenylethyl) ethyl carbonate

C15H22O4 — CID 118088530

IUPAC(2-butan-2-yloxy-1-phenylethyl) ethyl carbonate
SMILESCCOC(=O)OC(COC(C)CC)c1ccccc1
InChIInChI=1S/C15H22O4/c1-4-12(3)18-11-14(19-15(16)17-5-2)13-9-7-6-8-10-13/h6-10,12,14H,4-5,11H2,1-3H3
InChIKeyUIBGJAWBPNAJNL-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.72
Rot. Bonds7

About (2-butan-2-yloxy-1-phenylethyl) ethyl carbonate

(2-butan-2-yloxy-1-phenylethyl) ethyl carbonate (PubChem CID 118088530) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2-butan-2-yloxy-1-phenylethyl) ethyl carbonate.

Molecular Properties

Compound Name(2-butan-2-yloxy-1-phenylethyl) ethyl carbonate
PubChem CID118088530
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name(2-butan-2-yloxy-1-phenylethyl) ethyl carbonate
SMILESCCOC(=O)OC(COC(C)CC)c1ccccc1
InChIInChI=1S/C15H22O4/c1-4-12(3)18-11-14(19-15(16)17-5-2)13-9-7-6-8-10-13/h6-10,12,14H,4-5,11H2,1-3H3
InChIKeyUIBGJAWBPNAJNL-UHFFFAOYSA-N
XLogP3.72
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-butan-2-yloxy-1-phenylethyl) ethyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butan-2-yl 2-ethoxy-2-phenylacetate
CID 118039785
ethyl (2S)-2-phenylpropanoate
CID 7204861
1-phenylpropyl 2-phenylpropanoate
CID 174489936
ethyl [(1R,2R)-2-hydroxy-1,2-diphenylethyl] carbonate
CID 23243327
heptyl 1-phenylpropyl carbonate
CID 67180028
butan-2-yl 2-amino-2-phenylacetate;hydrochloride
CID 139951083
ethyl [(Z,2S,5R)-5-hydroxy-5-phenylpent-3-en-2-yl] carbonate
CID 15348850
ethyl [(Z,2R,5S)-5-hydroxy-5-phenylpent-3-en-2-yl] carbonate
CID 10999453
ethyl 1-phenoxyethyl carbonate
CID 173360681
[(2S)-2-[di(propan-2-yl)carbamoyloxy]-2-phenylethyl] N,N-di(propan-2-yl)carbamate
CID 102588636
[2-(2-ethoxyethoxy)-1-phenylethyl] phenyl carbonate
CID 118088751
1-phenyloctyl propyl carbonate
CID 67180869

Frequently Asked Questions

What is the IUPAC name of (2-butan-2-yloxy-1-phenylethyl) ethyl carbonate?
The IUPAC name of (2-butan-2-yloxy-1-phenylethyl) ethyl carbonate (CID 118088530) is (2-butan-2-yloxy-1-phenylethyl) ethyl carbonate.
What is the SMILES notation for (2-butan-2-yloxy-1-phenylethyl) ethyl carbonate?
The canonical SMILES for (2-butan-2-yloxy-1-phenylethyl) ethyl carbonate is CCOC(=O)OC(COC(C)CC)c1ccccc1.
What is the InChIKey of (2-butan-2-yloxy-1-phenylethyl) ethyl carbonate?
The InChIKey is UIBGJAWBPNAJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-4-12(3)18-11-14(19-15(16)17-5-2)13-9-7-6-8-10-13/h6-10,12,14H,4-5,11H2,1-3H3.
What are the key properties of (2-butan-2-yloxy-1-phenylethyl) ethyl carbonate?
(2-butan-2-yloxy-1-phenylethyl) ethyl carbonate has a molecular weight of 266.34 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butan-2-yloxy-1-phenylethyl) ethyl carbonate is sourced from PubChem (CID 118088530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).