2-benzyl-2-(2-methoxyethyl)propane-1,3-diol

C13H20O3 — CID 79450709

IUPAC2-benzyl-2-(2-methoxyethyl)propane-1,3-diol
SMILESCOCCC(CO)(CO)Cc1ccccc1
InChIInChI=1S/C13H20O3/c1-16-8-7-13(10-14,11-15)9-12-5-3-2-4-6-12/h2-6,14-15H,7-11H2,1H3
InChIKeyFCSCYMACEDQSBT-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.24
Rot. Bonds7

About 2-benzyl-2-(2-methoxyethyl)propane-1,3-diol

2-benzyl-2-(2-methoxyethyl)propane-1,3-diol (PubChem CID 79450709) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-benzyl-2-(2-methoxyethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-benzyl-2-(2-methoxyethyl)propane-1,3-diol
PubChem CID79450709
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name2-benzyl-2-(2-methoxyethyl)propane-1,3-diol
SMILESCOCCC(CO)(CO)Cc1ccccc1
InChIInChI=1S/C13H20O3/c1-16-8-7-13(10-14,11-15)9-12-5-3-2-4-6-12/h2-6,14-15H,7-11H2,1H3
InChIKeyFCSCYMACEDQSBT-UHFFFAOYSA-N
XLogP1.24
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-2-[2-(3-methoxypropoxy)ethyl]propane-1,3-diol
CID 103185079
2-benzyl-2-ethylpropane-1,3-diol
CID 19862076
2-(2-methoxyethylamino)-2-methyl-3-phenylpropan-1-ol
CID 114987479
2-(2-methoxyethoxy)-2-methyl-3-phenylpropanoic acid
CID 114990567
2-methoxyethylbenzene
CID 19089
2-benzyl-2-[(2,6-difluorophenyl)methyl]propane-1,3-diol
CID 114934981
2-[3,5-bis(3-methoxypropyl)phenyl]-1-phenylpropan-2-ol
CID 90763204
(3S)-3-methoxy-3,4-diphenylbutan-1-ol
CID 11817715
2-chloro-2-methyl-3-phenylpropan-1-ol
CID 130128732
2-(hydroxymethyl)-2-(phenylmethoxymethyl)propane-1,3-diol
CID 11974408
2-[[4-[2,2-bis(hydroxymethyl)tetradecyl]phenyl]methyl]-2-dodecylpropane-1,3-diol
CID 142736441
[2,2-bis(bromomethyl)-4-butoxybutyl]benzene
CID 79453191

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-(2-methoxyethyl)propane-1,3-diol?
The IUPAC name of 2-benzyl-2-(2-methoxyethyl)propane-1,3-diol (CID 79450709) is 2-benzyl-2-(2-methoxyethyl)propane-1,3-diol.
What is the SMILES notation for 2-benzyl-2-(2-methoxyethyl)propane-1,3-diol?
The canonical SMILES for 2-benzyl-2-(2-methoxyethyl)propane-1,3-diol is COCCC(CO)(CO)Cc1ccccc1.
What is the InChIKey of 2-benzyl-2-(2-methoxyethyl)propane-1,3-diol?
The InChIKey is FCSCYMACEDQSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-16-8-7-13(10-14,11-15)9-12-5-3-2-4-6-12/h2-6,14-15H,7-11H2,1H3.
What are the key properties of 2-benzyl-2-(2-methoxyethyl)propane-1,3-diol?
2-benzyl-2-(2-methoxyethyl)propane-1,3-diol has a molecular weight of 224.30 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-(2-methoxyethyl)propane-1,3-diol is sourced from PubChem (CID 79450709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).