2-(hydroxymethyl)-2-(phenylmethoxymethyl)propane-1,3-diol

C12H18O4 — CID 11974408

IUPAC2-(hydroxymethyl)-2-(phenylmethoxymethyl)propane-1,3-diol
SMILESOCC(CO)(CO)COCc1ccccc1
InChIInChI=1S/C12H18O4/c13-7-12(8-14,9-15)10-16-6-11-4-2-1-3-5-11/h1-5,13-15H,6-10H2
InChIKeySLDUUYIXPMPEDL-UHFFFAOYSA-N
MW226.27 g/mol
LogP0.17
Rot. Bonds7

About 2-(hydroxymethyl)-2-(phenylmethoxymethyl)propane-1,3-diol

2-(hydroxymethyl)-2-(phenylmethoxymethyl)propane-1,3-diol (PubChem CID 11974408) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-(phenylmethoxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-(phenylmethoxymethyl)propane-1,3-diol
PubChem CID11974408
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name2-(hydroxymethyl)-2-(phenylmethoxymethyl)propane-1,3-diol
SMILESOCC(CO)(CO)COCc1ccccc1
InChIInChI=1S/C12H18O4/c13-7-12(8-14,9-15)10-16-6-11-4-2-1-3-5-11/h1-5,13-15H,6-10H2
InChIKeySLDUUYIXPMPEDL-UHFFFAOYSA-N
XLogP0.17
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(hydroxymethyl)-2-(4-phenylmethoxybutoxymethyl)propane-1,3-diol
CID 131987442
2-amino-2-(phenylmethoxymethyl)propane-1,3-diol
CID 720755
(2R)-2-methyl-3-phenylmethoxypropane-1,2-diol
CID 11344600
(2S)-2-methyl-3-phenylmethoxypropane-1,2-diol
CID 101086068
2-fluoro-2-methyl-3-phenylmethoxypropan-1-ol
CID 10821802
2-(hydroxymethyl)-2-[(4-methoxyphenyl)methoxymethyl]propane-1,3-diol
CID 15417178
2,2-bis(hydroxymethyl)propane-1,3-diol;tetrakis(3-phenylmethoxypropanoic acid)
CID 174146659
benzoic acid;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 67584287
(2R)-2-methyl-3-phenylmethoxy-2-phenylsulfanylpropan-1-ol
CID 102391080
2-[(dimethylamino)methyl]-2-methyl-3-phenylmethoxypropan-1-ol
CID 15348373
2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;phthalic acid
CID 70595915
2-[[2,2-bis(hydroxymethyl)-3-phenoxypropoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 175594454

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-(phenylmethoxymethyl)propane-1,3-diol?
The IUPAC name of 2-(hydroxymethyl)-2-(phenylmethoxymethyl)propane-1,3-diol (CID 11974408) is 2-(hydroxymethyl)-2-(phenylmethoxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-(hydroxymethyl)-2-(phenylmethoxymethyl)propane-1,3-diol?
The canonical SMILES for 2-(hydroxymethyl)-2-(phenylmethoxymethyl)propane-1,3-diol is OCC(CO)(CO)COCc1ccccc1.
What is the InChIKey of 2-(hydroxymethyl)-2-(phenylmethoxymethyl)propane-1,3-diol?
The InChIKey is SLDUUYIXPMPEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c13-7-12(8-14,9-15)10-16-6-11-4-2-1-3-5-11/h1-5,13-15H,6-10H2.
What are the key properties of 2-(hydroxymethyl)-2-(phenylmethoxymethyl)propane-1,3-diol?
2-(hydroxymethyl)-2-(phenylmethoxymethyl)propane-1,3-diol has a molecular weight of 226.27 g/mol, XLogP of 0.17, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-(phenylmethoxymethyl)propane-1,3-diol is sourced from PubChem (CID 11974408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).