bis(3-methoxy-2-phenylpropyl) carbonate

C21H26O5 — CID 141468293

IUPACbis(3-methoxy-2-phenylpropyl) carbonate
SMILESCOCC(COC(=O)OCC(COC)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26O5/c1-23-13-19(17-9-5-3-6-10-17)15-25-21(22)26-16-20(14-24-2)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3
InChIKeyVOTQJMFWOJCBTG-UHFFFAOYSA-N
MW358.43 g/mol
LogP4.00
Rot. Bonds10

About bis(3-methoxy-2-phenylpropyl) carbonate

bis(3-methoxy-2-phenylpropyl) carbonate (PubChem CID 141468293) has the molecular formula C21H26O5 and a molecular weight of 358.43 g/mol. Its IUPAC name is bis(3-methoxy-2-phenylpropyl) carbonate.

Molecular Properties

Compound Namebis(3-methoxy-2-phenylpropyl) carbonate
PubChem CID141468293
Molecular FormulaC21H26O5
Molecular Weight358.43 g/mol
Exact Mass358.18
IUPAC Namebis(3-methoxy-2-phenylpropyl) carbonate
SMILESCOCC(COC(=O)OCC(COC)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26O5/c1-23-13-19(17-9-5-3-6-10-17)15-25-21(22)26-16-20(14-24-2)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3
InChIKeyVOTQJMFWOJCBTG-UHFFFAOYSA-N
XLogP4.00
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-2-phenylpropan-1-amine
CID 66968828
[(2R)-2-methoxy-2-phenylethyl] [(2S)-2-methoxy-2-phenylethyl] carbonate
CID 102443903
(3-carbamoyloxy-2-phenylpropyl) carbamate;hydrate
CID 23581812
(1-chloro-3-methoxypropan-2-yl)benzene
CID 103985106
[(3S)-4-acetyloxy-3-phenylbutyl] acetate
CID 100998511
[4-(2-methylpropanoyloxy)-3-phenylbutyl] 2-methylpropanoate
CID 123909270
2-amino-N-(2-amino-2-oxo-1-phenylethyl)-3-methoxypropanamide;hydrochloride
CID 120984398
2-oxo-2-(2-phenylbutoxy)acetic acid
CID 22390935
(2S)-2-[[(2S)-1-methoxypropan-2-yl]amino]-2-phenylacetamide
CID 33406332
3-methoxy-2-(1-phenylethylamino)propanamide
CID 115774804
carbamic acid;(3-hydroxy-2-phenylpropyl) acetate
CID 67572448
benzene;2-methoxy-1-phenylethanol
CID 174622919

Frequently Asked Questions

What is the IUPAC name of bis(3-methoxy-2-phenylpropyl) carbonate?
The IUPAC name of bis(3-methoxy-2-phenylpropyl) carbonate (CID 141468293) is bis(3-methoxy-2-phenylpropyl) carbonate.
What is the SMILES notation for bis(3-methoxy-2-phenylpropyl) carbonate?
The canonical SMILES for bis(3-methoxy-2-phenylpropyl) carbonate is COCC(COC(=O)OCC(COC)c1ccccc1)c1ccccc1.
What is the InChIKey of bis(3-methoxy-2-phenylpropyl) carbonate?
The InChIKey is VOTQJMFWOJCBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O5/c1-23-13-19(17-9-5-3-6-10-17)15-25-21(22)26-16-20(14-24-2)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3.
What are the key properties of bis(3-methoxy-2-phenylpropyl) carbonate?
bis(3-methoxy-2-phenylpropyl) carbonate has a molecular weight of 358.43 g/mol, XLogP of 4.00, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-methoxy-2-phenylpropyl) carbonate is sourced from PubChem (CID 141468293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).