2-(2-phenylethoxy)ethyl pyridin-2-yl carbonate

C16H17NO4 — CID 73294493

IUPAC2-(2-phenylethoxy)ethyl pyridin-2-yl carbonate
SMILESO=C(OCCOCCc1ccccc1)Oc1ccccn1
InChIInChI=1S/C16H17NO4/c18-16(21-15-8-4-5-10-17-15)20-13-12-19-11-9-14-6-2-1-3-7-14/h1-8,10H,9,11-13H2
InChIKeyMBZDHXQQDSRFDS-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.86
Rot. Bonds7

About 2-(2-phenylethoxy)ethyl pyridin-2-yl carbonate

2-(2-phenylethoxy)ethyl pyridin-2-yl carbonate (PubChem CID 73294493) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is 2-(2-phenylethoxy)ethyl pyridin-2-yl carbonate.

Molecular Properties

Compound Name2-(2-phenylethoxy)ethyl pyridin-2-yl carbonate
PubChem CID73294493
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name2-(2-phenylethoxy)ethyl pyridin-2-yl carbonate
SMILESO=C(OCCOCCc1ccccc1)Oc1ccccn1
InChIInChI=1S/C16H17NO4/c18-16(21-15-8-4-5-10-17-15)20-13-12-19-11-9-14-6-2-1-3-7-14/h1-8,10H,9,11-13H2
InChIKeyMBZDHXQQDSRFDS-UHFFFAOYSA-N
XLogP2.86
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dipyridin-2-yl carbonate
CID 2757370
2-hydroxypropyl 2-(2-phenylethoxy)ethyl carbonate
CID 130220835
bis[2-[2-(2-phenylethoxy)ethoxy]ethyl] hexanedioate
CID 69172633
2-phenylethyl phenylmethoxymethyl carbonate
CID 11022486
2-amino-3-(2-phenylethoxy)propanamide
CID 114989411
2-(2-methoxyethoxy)ethylbenzene
CID 21135488
ethoxymethyl 2-phenylethyl carbonate
CID 24976123
pyridin-2-yl N-phenylcarbamate
CID 4689975
2-(2-ethoxyethoxy)ethyl phenyl carbonate
CID 118088520
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl pyridin-2-yl carbonate
CID 56949258
2-[2-(2-amino-3-phenylpropanoyl)oxyethoxy]ethyl 2-amino-3-phenylpropanoate
CID 58112359
aziridin-2-one;3-(2-phenylethoxy)propanamide
CID 88919974

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethoxy)ethyl pyridin-2-yl carbonate?
The IUPAC name of 2-(2-phenylethoxy)ethyl pyridin-2-yl carbonate (CID 73294493) is 2-(2-phenylethoxy)ethyl pyridin-2-yl carbonate.
What is the SMILES notation for 2-(2-phenylethoxy)ethyl pyridin-2-yl carbonate?
The canonical SMILES for 2-(2-phenylethoxy)ethyl pyridin-2-yl carbonate is O=C(OCCOCCc1ccccc1)Oc1ccccn1.
What is the InChIKey of 2-(2-phenylethoxy)ethyl pyridin-2-yl carbonate?
The InChIKey is MBZDHXQQDSRFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c18-16(21-15-8-4-5-10-17-15)20-13-12-19-11-9-14-6-2-1-3-7-14/h1-8,10H,9,11-13H2.
What are the key properties of 2-(2-phenylethoxy)ethyl pyridin-2-yl carbonate?
2-(2-phenylethoxy)ethyl pyridin-2-yl carbonate has a molecular weight of 287.31 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethoxy)ethyl pyridin-2-yl carbonate is sourced from PubChem (CID 73294493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).