2-hydroxypropyl 2-(2-phenylethoxy)ethyl carbonate

C14H20O5 — CID 130220835

IUPAC2-hydroxypropyl 2-(2-phenylethoxy)ethyl carbonate
SMILESCC(O)COC(=O)OCCOCCc1ccccc1
InChIInChI=1S/C14H20O5/c1-12(15)11-19-14(16)18-10-9-17-8-7-13-5-3-2-4-6-13/h2-6,12,15H,7-11H2,1H3
InChIKeyNYRFQOKJRQGTOH-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.78
Rot. Bonds8

About 2-hydroxypropyl 2-(2-phenylethoxy)ethyl carbonate

2-hydroxypropyl 2-(2-phenylethoxy)ethyl carbonate (PubChem CID 130220835) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-hydroxypropyl 2-(2-phenylethoxy)ethyl carbonate.

Molecular Properties

Compound Name2-hydroxypropyl 2-(2-phenylethoxy)ethyl carbonate
PubChem CID130220835
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Name2-hydroxypropyl 2-(2-phenylethoxy)ethyl carbonate
SMILESCC(O)COC(=O)OCCOCCc1ccccc1
InChIInChI=1S/C14H20O5/c1-12(15)11-19-14(16)18-10-9-17-8-7-13-5-3-2-4-6-13/h2-6,12,15H,7-11H2,1H3
InChIKeyNYRFQOKJRQGTOH-UHFFFAOYSA-N
XLogP1.78
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-O-(2-hydroxypropyl) 1-O-(2-phenylethyl) but-2-enedioate
CID 54472095
bis[2-(2-hydroxypropoxy)ethyl] carbonate
CID 141093104
2-amino-3-(2-phenylethoxy)propanamide
CID 114989411
2-(2-methoxyethoxy)ethylbenzene
CID 21135488
2,3-dihydroxypropyl (3-methyl-5-phenylpentyl) carbonate
CID 11358399
1-(2-phenylethoxy)butane-2,3-diol
CID 175116942
benzyl 3-hydroxybutyl carbonate
CID 15121666
ethoxymethyl 2-phenylethyl carbonate
CID 24976123
1-iodoethyl 2-phenylethyl carbonate
CID 23449049
bis[2-[2-(2-phenylethoxy)ethoxy]ethyl] hexanedioate
CID 69172633
2-(2-phenylethoxy)ethyl pyridin-2-yl carbonate
CID 73294493
2-phenylethyl phenylmethoxymethyl carbonate
CID 11022486

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropyl 2-(2-phenylethoxy)ethyl carbonate?
The IUPAC name of 2-hydroxypropyl 2-(2-phenylethoxy)ethyl carbonate (CID 130220835) is 2-hydroxypropyl 2-(2-phenylethoxy)ethyl carbonate.
What is the SMILES notation for 2-hydroxypropyl 2-(2-phenylethoxy)ethyl carbonate?
The canonical SMILES for 2-hydroxypropyl 2-(2-phenylethoxy)ethyl carbonate is CC(O)COC(=O)OCCOCCc1ccccc1.
What is the InChIKey of 2-hydroxypropyl 2-(2-phenylethoxy)ethyl carbonate?
The InChIKey is NYRFQOKJRQGTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O5/c1-12(15)11-19-14(16)18-10-9-17-8-7-13-5-3-2-4-6-13/h2-6,12,15H,7-11H2,1H3.
What are the key properties of 2-hydroxypropyl 2-(2-phenylethoxy)ethyl carbonate?
2-hydroxypropyl 2-(2-phenylethoxy)ethyl carbonate has a molecular weight of 268.31 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropyl 2-(2-phenylethoxy)ethyl carbonate is sourced from PubChem (CID 130220835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).