3-phenoxypropane-1,2-diol

C9H12O3 — CID 10857

IUPAC3-phenoxypropane-1,2-diol
SMILESOCC(O)COc1ccccc1
InChIInChI=1S/C9H12O3/c10-6-8(11)7-12-9-4-2-1-3-5-9/h1-5,8,10-11H,6-7H2
InChIKeyFNQIYTUXOKTMDM-UHFFFAOYSA-N
MW168.19 g/mol
LogP0.42
Rot. Bonds4

About 3-phenoxypropane-1,2-diol

3-phenoxypropane-1,2-diol (PubChem CID 10857) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 3-phenoxypropane-1,2-diol.

Molecular Properties

Compound Name3-phenoxypropane-1,2-diol
PubChem CID10857
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name3-phenoxypropane-1,2-diol
SMILESOCC(O)COc1ccccc1
InChIInChI=1S/C9H12O3/c10-6-8(11)7-12-9-4-2-1-3-5-9/h1-5,8,10-11H,6-7H2
InChIKeyFNQIYTUXOKTMDM-UHFFFAOYSA-N
XLogP0.42
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenoxypropane-1,2-diol
CID 158587241
actinium;3-phenoxypropane-1,2-diol
CID 22981458
ethane;2-methylpropane;tris(3-phenoxypropane-1,2-diol);propane
CID 162110653
3-(2-hydroxy-3-phenoxypropyl)sulfanylpropane-1,2-diol
CID 10967176
anisole;ethane;methane;bis(3-phenoxypropane-1,2-diol);propane;yttrium
CID 159417970
(2R)-1-fluoro-3-phenoxypropan-2-ol
CID 100942917
(2R)-3-(3-phenylmethoxyphenoxy)propane-1,2-diol
CID 129362160
3-[4-(N-[4-(2,3-dihydroxypropoxy)phenyl]-4-phenylanilino)phenoxy]propane-1,2-diol
CID 58892567
3-[3-(N-phenylanilino)phenoxy]propane-1,2-diol
CID 59739427
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
3-phenylperoxypropane-1,2-diol
CID 175055496
1-aminooxy-3-phenoxypropan-2-ol
CID 13273091

Frequently Asked Questions

What is the IUPAC name of 3-phenoxypropane-1,2-diol?
The IUPAC name of 3-phenoxypropane-1,2-diol (CID 10857) is 3-phenoxypropane-1,2-diol.
What is the SMILES notation for 3-phenoxypropane-1,2-diol?
The canonical SMILES for 3-phenoxypropane-1,2-diol is OCC(O)COc1ccccc1.
What is the InChIKey of 3-phenoxypropane-1,2-diol?
The InChIKey is FNQIYTUXOKTMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c10-6-8(11)7-12-9-4-2-1-3-5-9/h1-5,8,10-11H,6-7H2.
What are the key properties of 3-phenoxypropane-1,2-diol?
3-phenoxypropane-1,2-diol has a molecular weight of 168.19 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxypropane-1,2-diol is sourced from PubChem (CID 10857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).