[2-[2-(2-methylpropoxy)-2-phenylethyl]phenyl] hydrogen carbonate

C19H22O4 — CID 90300615

IUPAC[2-[2-(2-methylpropoxy)-2-phenylethyl]phenyl] hydrogen carbonate
SMILESCC(C)COC(Cc1ccccc1OC(=O)O)c1ccccc1
InChIInChI=1S/C19H22O4/c1-14(2)13-22-18(15-8-4-3-5-9-15)12-16-10-6-7-11-17(16)23-19(20)21/h3-11,14,18H,12-13H2,1-2H3,(H,20,21)
InChIKeyYWLTVAWULGXEBF-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.70
Rot. Bonds7

About [2-[2-(2-methylpropoxy)-2-phenylethyl]phenyl] hydrogen carbonate

[2-[2-(2-methylpropoxy)-2-phenylethyl]phenyl] hydrogen carbonate (PubChem CID 90300615) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is [2-[2-(2-methylpropoxy)-2-phenylethyl]phenyl] hydrogen carbonate.

Molecular Properties

Compound Name[2-[2-(2-methylpropoxy)-2-phenylethyl]phenyl] hydrogen carbonate
PubChem CID90300615
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name[2-[2-(2-methylpropoxy)-2-phenylethyl]phenyl] hydrogen carbonate
SMILESCC(C)COC(Cc1ccccc1OC(=O)O)c1ccccc1
InChIInChI=1S/C19H22O4/c1-14(2)13-22-18(15-8-4-3-5-9-15)12-16-10-6-7-11-17(16)23-19(20)21/h3-11,14,18H,12-13H2,1-2H3,(H,20,21)
InChIKeyYWLTVAWULGXEBF-UHFFFAOYSA-N
XLogP4.70
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-[2-(2-methylpropoxy)-2-phenylethyl]phenyl] hydrogen carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-methoxypropyl)phenyl] hydrogen carbonate
CID 90300699
3-(2-methylpropoxy)-3-phenylpropanoic acid
CID 114988873
[2-(2,2-dichloroethyl)phenyl] hydrogen carbonate
CID 66742586
2-(2-methylpropoxy)-3-(2-phenoxyphenyl)propanoic acid
CID 133241431
(2-pentylphenyl) hydrogen carbonate
CID 66866102
(2S)-2-(2-methylpropoxy)-1,2-diphenylethanone
CID 736037
[2-(2-methylpropyl)phenyl] 2-fluoroacetate
CID 150064883
1-[2-(2-methylpropoxy)phenyl]propan-2-ol
CID 82161419
3-[2-(2-methylpropoxy)phenyl]-2-phenylpropan-1-amine
CID 82160440
3-[2-(2-methylpropoxy)phenyl]propanoic acid
CID 82161462
2-(3-ethoxyphenyl)-3-[2-(2-methylpropoxy)phenyl]propanoic acid
CID 83952378
[2-(3,3-diethoxy-2-phenylpropyl)phenyl] 2-aminoacetate
CID 91304826

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-methylpropoxy)-2-phenylethyl]phenyl] hydrogen carbonate?
The IUPAC name of [2-[2-(2-methylpropoxy)-2-phenylethyl]phenyl] hydrogen carbonate (CID 90300615) is [2-[2-(2-methylpropoxy)-2-phenylethyl]phenyl] hydrogen carbonate.
What is the SMILES notation for [2-[2-(2-methylpropoxy)-2-phenylethyl]phenyl] hydrogen carbonate?
The canonical SMILES for [2-[2-(2-methylpropoxy)-2-phenylethyl]phenyl] hydrogen carbonate is CC(C)COC(Cc1ccccc1OC(=O)O)c1ccccc1.
What is the InChIKey of [2-[2-(2-methylpropoxy)-2-phenylethyl]phenyl] hydrogen carbonate?
The InChIKey is YWLTVAWULGXEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-14(2)13-22-18(15-8-4-3-5-9-15)12-16-10-6-7-11-17(16)23-19(20)21/h3-11,14,18H,12-13H2,1-2H3,(H,20,21).
What are the key properties of [2-[2-(2-methylpropoxy)-2-phenylethyl]phenyl] hydrogen carbonate?
[2-[2-(2-methylpropoxy)-2-phenylethyl]phenyl] hydrogen carbonate has a molecular weight of 314.38 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-methylpropoxy)-2-phenylethyl]phenyl] hydrogen carbonate is sourced from PubChem (CID 90300615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).