(2-ethoxycarbonyloxyphenyl) propyl carbonate

C13H16O6 — CID 171768245

IUPAC(2-ethoxycarbonyloxyphenyl) propyl carbonate
SMILESCCCOC(=O)Oc1ccccc1OC(=O)OCC
InChIInChI=1S/C13H16O6/c1-3-9-17-13(15)19-11-8-6-5-7-10(11)18-12(14)16-4-2/h5-8H,3-4,9H2,1-2H3
InChIKeyCWUSLTKLAIAUQN-UHFFFAOYSA-N
MW268.26 g/mol
LogP3.15
Rot. Bonds5

About (2-ethoxycarbonyloxyphenyl) propyl carbonate

(2-ethoxycarbonyloxyphenyl) propyl carbonate (PubChem CID 171768245) has the molecular formula C13H16O6 and a molecular weight of 268.26 g/mol. Its IUPAC name is (2-ethoxycarbonyloxyphenyl) propyl carbonate.

Molecular Properties

Compound Name(2-ethoxycarbonyloxyphenyl) propyl carbonate
PubChem CID171768245
Molecular FormulaC13H16O6
Molecular Weight268.26 g/mol
Exact Mass268.09
IUPAC Name(2-ethoxycarbonyloxyphenyl) propyl carbonate
SMILESCCCOC(=O)Oc1ccccc1OC(=O)OCC
InChIInChI=1S/C13H16O6/c1-3-9-17-13(15)19-11-8-6-5-7-10(11)18-12(14)16-4-2/h5-8H,3-4,9H2,1-2H3
InChIKeyCWUSLTKLAIAUQN-UHFFFAOYSA-N
XLogP3.15
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxycarbonyloxyphenyl)acetic acid
CID 122517223
ethyl 3-(2-ethoxycarbonyloxyphenyl)-2-methylpropanoate
CID 122517254
ethyl (2-heptylphenyl) carbonate
CID 67181360
(2-butoxycarbonyloxyphenyl) 2-methylpropyl carbonate
CID 91704527
(2-aminophenyl) pentyl carbonate
CID 139745164
[2-(cyanomethyl)phenyl] ethyl carbonate
CID 165430803
magnesium;2-(2-ethoxycarbonyloxyphenyl)phenolate;chloride
CID 140712283
naphthalen-1-yl pentyl carbonate
CID 175011067
[2-[(2-octoxycarbonyloxyphenyl)methyl]phenyl] octyl carbonate
CID 150788215
(2-butylphenyl) hexyl carbonate
CID 67178148
chloromethoxycarbonyl 2-ethoxycarbonyloxybenzoate
CID 144553181
butyl (2-decylphenyl) carbonate
CID 67182932

Frequently Asked Questions

What is the IUPAC name of (2-ethoxycarbonyloxyphenyl) propyl carbonate?
The IUPAC name of (2-ethoxycarbonyloxyphenyl) propyl carbonate (CID 171768245) is (2-ethoxycarbonyloxyphenyl) propyl carbonate.
What is the SMILES notation for (2-ethoxycarbonyloxyphenyl) propyl carbonate?
The canonical SMILES for (2-ethoxycarbonyloxyphenyl) propyl carbonate is CCCOC(=O)Oc1ccccc1OC(=O)OCC.
What is the InChIKey of (2-ethoxycarbonyloxyphenyl) propyl carbonate?
The InChIKey is CWUSLTKLAIAUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O6/c1-3-9-17-13(15)19-11-8-6-5-7-10(11)18-12(14)16-4-2/h5-8H,3-4,9H2,1-2H3.
What are the key properties of (2-ethoxycarbonyloxyphenyl) propyl carbonate?
(2-ethoxycarbonyloxyphenyl) propyl carbonate has a molecular weight of 268.26 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxycarbonyloxyphenyl) propyl carbonate is sourced from PubChem (CID 171768245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).