[3-[2-(2-ethoxyethoxy)ethyl]-2-phenylphenyl] hydrogen carbonate

C19H22O5 — CID 90300696

IUPAC[3-[2-(2-ethoxyethoxy)ethyl]-2-phenylphenyl] hydrogen carbonate
SMILESCCOCCOCCc1cccc(OC(=O)O)c1-c1ccccc1
InChIInChI=1S/C19H22O5/c1-2-22-13-14-23-12-11-16-9-6-10-17(24-19(20)21)18(16)15-7-4-3-5-8-15/h3-10H,2,11-14H2,1H3,(H,20,21)
InChIKeyLNHTUUZLDRIMLN-UHFFFAOYSA-N
MW330.38 g/mol
LogP4.01
Rot. Bonds9

About [3-[2-(2-ethoxyethoxy)ethyl]-2-phenylphenyl] hydrogen carbonate

[3-[2-(2-ethoxyethoxy)ethyl]-2-phenylphenyl] hydrogen carbonate (PubChem CID 90300696) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is [3-[2-(2-ethoxyethoxy)ethyl]-2-phenylphenyl] hydrogen carbonate.

Molecular Properties

Compound Name[3-[2-(2-ethoxyethoxy)ethyl]-2-phenylphenyl] hydrogen carbonate
PubChem CID90300696
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name[3-[2-(2-ethoxyethoxy)ethyl]-2-phenylphenyl] hydrogen carbonate
SMILESCCOCCOCCc1cccc(OC(=O)O)c1-c1ccccc1
InChIInChI=1S/C19H22O5/c1-2-22-13-14-23-12-11-16-9-6-10-17(24-19(20)21)18(16)15-7-4-3-5-8-15/h3-10H,2,11-14H2,1H3,(H,20,21)
InChIKeyLNHTUUZLDRIMLN-UHFFFAOYSA-N
XLogP4.01
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(3-pentadecyl-2-phenylphenyl) hydrogen carbonate
CID 151877848
[3-(2-butoxyethyl)-2-methylphenyl] hydrogen carbonate
CID 90300584
[3-(8-hexoxyoctyl)-2-hydroxyphenyl] hydrogen carbonate
CID 69499033
1-ethoxy-2-[2-[2-(2-ethoxyphenyl)ethoxy]ethyl]benzene
CID 141096945
(2-pentylphenyl) hydrogen carbonate
CID 66866102
(3-bromo-2-phenylphenyl) hydrogen carbonate
CID 54141570
(3-butyl-2-hydroxyphenyl) hydrogen carbonate
CID 69349391
2-(2-ethoxyethoxy)ethyl phenyl carbonate
CID 118088520
(3-butyl-2-phenylphenyl) hydrogen sulfate
CID 66641312
1-ethyl-2-[2-[2-(2-ethylphenyl)ethoxy]ethyl]benzene
CID 139601615
(2-phenyl-3-tritylphenyl) hydrogen carbonate
CID 66925239
(3-butyl-2-nonylphenyl) hydrogen carbonate
CID 67180940

Frequently Asked Questions

What is the IUPAC name of [3-[2-(2-ethoxyethoxy)ethyl]-2-phenylphenyl] hydrogen carbonate?
The IUPAC name of [3-[2-(2-ethoxyethoxy)ethyl]-2-phenylphenyl] hydrogen carbonate (CID 90300696) is [3-[2-(2-ethoxyethoxy)ethyl]-2-phenylphenyl] hydrogen carbonate.
What is the SMILES notation for [3-[2-(2-ethoxyethoxy)ethyl]-2-phenylphenyl] hydrogen carbonate?
The canonical SMILES for [3-[2-(2-ethoxyethoxy)ethyl]-2-phenylphenyl] hydrogen carbonate is CCOCCOCCc1cccc(OC(=O)O)c1-c1ccccc1.
What is the InChIKey of [3-[2-(2-ethoxyethoxy)ethyl]-2-phenylphenyl] hydrogen carbonate?
The InChIKey is LNHTUUZLDRIMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O5/c1-2-22-13-14-23-12-11-16-9-6-10-17(24-19(20)21)18(16)15-7-4-3-5-8-15/h3-10H,2,11-14H2,1H3,(H,20,21).
What are the key properties of [3-[2-(2-ethoxyethoxy)ethyl]-2-phenylphenyl] hydrogen carbonate?
[3-[2-(2-ethoxyethoxy)ethyl]-2-phenylphenyl] hydrogen carbonate has a molecular weight of 330.38 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(2-ethoxyethoxy)ethyl]-2-phenylphenyl] hydrogen carbonate is sourced from PubChem (CID 90300696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).