3-(1-hydroxy-2-phenylethoxy)propane-1,2-diol

C11H16O4 — CID 23498170

IUPAC3-(1-hydroxy-2-phenylethoxy)propane-1,2-diol
SMILESOCC(O)COC(O)Cc1ccccc1
InChIInChI=1S/C11H16O4/c12-7-10(13)8-15-11(14)6-9-4-2-1-3-5-9/h1-5,10-14H,6-8H2
InChIKeyBVYVRUHWEIKBCC-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.08
Rot. Bonds6

About 3-(1-hydroxy-2-phenylethoxy)propane-1,2-diol

3-(1-hydroxy-2-phenylethoxy)propane-1,2-diol (PubChem CID 23498170) has the molecular formula C11H16O4 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-(1-hydroxy-2-phenylethoxy)propane-1,2-diol.

Molecular Properties

Compound Name3-(1-hydroxy-2-phenylethoxy)propane-1,2-diol
PubChem CID23498170
Molecular FormulaC11H16O4
Molecular Weight212.25 g/mol
Exact Mass212.10
IUPAC Name3-(1-hydroxy-2-phenylethoxy)propane-1,2-diol
SMILESOCC(O)COC(O)Cc1ccccc1
InChIInChI=1S/C11H16O4/c12-7-10(13)8-15-11(14)6-9-4-2-1-3-5-9/h1-5,10-14H,6-8H2
InChIKeyBVYVRUHWEIKBCC-UHFFFAOYSA-N
XLogP-0.08
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[1,3-bis[1,3-bis(phenylmethoxy)propan-2-yloxy]propan-2-yloxy]propane-1,2-diol
CID 10508688
CID 172760983
CID 172760983
(2S)-3-phenyl-2-phenylmethoxypropan-1-ol
CID 11831604
3-phenoxypropane-1,2-diol
CID 10857
3-phenoxypropane-1,2-diol
CID 158587241
1-phenoxy-2-phenylethanol
CID 54118978
3-(1-phenylpropoxy)propane-1,2-diol
CID 134964704
3-(3-phenylpropoxy)propane-1,2-diol
CID 66597635
actinium;3-phenoxypropane-1,2-diol
CID 22981458
3-(4-phenylmethoxyphenyl)propane-1,2-diol
CID 19868595
1-phenylmethoxyethanol;propane-1,2,3-triol
CID 157415371
1,6-diphenylhexane-2,5-diol
CID 15072586

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxy-2-phenylethoxy)propane-1,2-diol?
The IUPAC name of 3-(1-hydroxy-2-phenylethoxy)propane-1,2-diol (CID 23498170) is 3-(1-hydroxy-2-phenylethoxy)propane-1,2-diol.
What is the SMILES notation for 3-(1-hydroxy-2-phenylethoxy)propane-1,2-diol?
The canonical SMILES for 3-(1-hydroxy-2-phenylethoxy)propane-1,2-diol is OCC(O)COC(O)Cc1ccccc1.
What is the InChIKey of 3-(1-hydroxy-2-phenylethoxy)propane-1,2-diol?
The InChIKey is BVYVRUHWEIKBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c12-7-10(13)8-15-11(14)6-9-4-2-1-3-5-9/h1-5,10-14H,6-8H2.
What are the key properties of 3-(1-hydroxy-2-phenylethoxy)propane-1,2-diol?
3-(1-hydroxy-2-phenylethoxy)propane-1,2-diol has a molecular weight of 212.25 g/mol, XLogP of -0.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxy-2-phenylethoxy)propane-1,2-diol is sourced from PubChem (CID 23498170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).