[2-(2-ethoxyethoxy)-1-phenylethyl] phenyl carbonate

C19H22O5 — CID 118088751

IUPAC[2-(2-ethoxyethoxy)-1-phenylethyl] phenyl carbonate
SMILESCCOCCOCC(OC(=O)Oc1ccccc1)c1ccccc1
InChIInChI=1S/C19H22O5/c1-2-21-13-14-22-15-18(16-9-5-3-6-10-16)24-19(20)23-17-11-7-4-8-12-17/h3-12,18H,2,13-15H2,1H3
InChIKeyGCLGJJZZMQUGFT-UHFFFAOYSA-N
MW330.38 g/mol
LogP4.00
Rot. Bonds9

About [2-(2-ethoxyethoxy)-1-phenylethyl] phenyl carbonate

[2-(2-ethoxyethoxy)-1-phenylethyl] phenyl carbonate (PubChem CID 118088751) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is [2-(2-ethoxyethoxy)-1-phenylethyl] phenyl carbonate.

Molecular Properties

Compound Name[2-(2-ethoxyethoxy)-1-phenylethyl] phenyl carbonate
PubChem CID118088751
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name[2-(2-ethoxyethoxy)-1-phenylethyl] phenyl carbonate
SMILESCCOCCOCC(OC(=O)Oc1ccccc1)c1ccccc1
InChIInChI=1S/C19H22O5/c1-2-21-13-14-22-15-18(16-9-5-3-6-10-16)24-19(20)23-17-11-7-4-8-12-17/h3-12,18H,2,13-15H2,1H3
InChIKeyGCLGJJZZMQUGFT-UHFFFAOYSA-N
XLogP4.00
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxyethoxy)ethyl phenyl carbonate
CID 118088520
diphenyl carbonate;ethoxyethane
CID 67230205
(2-tert-butylsulfanyl-1-phenylethyl) phenyl carbonate
CID 10426786
[4-(2-ethoxyethoxy)-3-phenylbutyl] hydrogen carbonate
CID 90300540
2-ethoxyethyl 2-amino-2-phenylacetate
CID 61278418
[(4-methylphenyl)-phenylmethyl] phenyl carbonate
CID 23655369
[3-methyl-1-(3-methyl-2-phenoxycarbonyloxybut-3-enoxy)but-3-en-2-yl] phenyl carbonate
CID 67793821
(2-butan-2-yloxy-1-phenylethyl) ethyl carbonate
CID 118088530
[(1S)-2-ethoxy-1-methoxyethyl]benzene
CID 155459528
(2-ethoxy-1-propoxyethyl)benzene
CID 54522303
[(1R)-2-methoxy-1-phenylethyl] acetate
CID 101055201
nonan-4-yl phenyl carbonate
CID 152553263

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyethoxy)-1-phenylethyl] phenyl carbonate?
The IUPAC name of [2-(2-ethoxyethoxy)-1-phenylethyl] phenyl carbonate (CID 118088751) is [2-(2-ethoxyethoxy)-1-phenylethyl] phenyl carbonate.
What is the SMILES notation for [2-(2-ethoxyethoxy)-1-phenylethyl] phenyl carbonate?
The canonical SMILES for [2-(2-ethoxyethoxy)-1-phenylethyl] phenyl carbonate is CCOCCOCC(OC(=O)Oc1ccccc1)c1ccccc1.
What is the InChIKey of [2-(2-ethoxyethoxy)-1-phenylethyl] phenyl carbonate?
The InChIKey is GCLGJJZZMQUGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O5/c1-2-21-13-14-22-15-18(16-9-5-3-6-10-16)24-19(20)23-17-11-7-4-8-12-17/h3-12,18H,2,13-15H2,1H3.
What are the key properties of [2-(2-ethoxyethoxy)-1-phenylethyl] phenyl carbonate?
[2-(2-ethoxyethoxy)-1-phenylethyl] phenyl carbonate has a molecular weight of 330.38 g/mol, XLogP of 4.00, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyethoxy)-1-phenylethyl] phenyl carbonate is sourced from PubChem (CID 118088751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).