3-[3-[(1S)-1-hydroxyethyl]phenoxy]propane-1,2-diol

C11H16O4 — CID 82849501

IUPAC3-[3-[(1S)-1-hydroxyethyl]phenoxy]propane-1,2-diol
SMILESC[C@H](O)c1cccc(OCC(O)CO)c1
InChIInChI=1S/C11H16O4/c1-8(13)9-3-2-4-11(5-9)15-7-10(14)6-12/h2-5,8,10,12-14H,6-7H2,1H3/t8-,10?/m0/s1
InChIKeyAWLQQQNSOZBJQB-PEHGTWAWSA-N
MW212.24 g/mol
LogP0.47
Rot. Bonds5

About 3-[3-[(1S)-1-hydroxyethyl]phenoxy]propane-1,2-diol

3-[3-[(1S)-1-hydroxyethyl]phenoxy]propane-1,2-diol (PubChem CID 82849501) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 3-[3-[(1S)-1-hydroxyethyl]phenoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[3-[(1S)-1-hydroxyethyl]phenoxy]propane-1,2-diol
PubChem CID82849501
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name3-[3-[(1S)-1-hydroxyethyl]phenoxy]propane-1,2-diol
SMILESC[C@H](O)c1cccc(OCC(O)CO)c1
InChIInChI=1S/C11H16O4/c1-8(13)9-3-2-4-11(5-9)15-7-10(14)6-12/h2-5,8,10,12-14H,6-7H2,1H3/t8-,10?/m0/s1
InChIKeyAWLQQQNSOZBJQB-PEHGTWAWSA-N
XLogP0.47
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-methylbutoxy)phenyl]ethanol
CID 62104387
1-butoxy-3-[3-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol
CID 107263420
(1R)-1-[3-(2-phenoxyethoxy)phenyl]ethanol
CID 63365536
1-[3-(2-chloroprop-2-enoxy)phenyl]ethanol
CID 43504343
(1S)-1-(3-butoxyphenyl)ethanol
CID 78933868
3-phenoxypropane-1,2-diol
CID 158587241
3-phenoxypropane-1,2-diol
CID 10857
(1S)-1-[3-(3-fluoropropoxy)phenyl]ethanol
CID 81114457
1-[3-(1-aminoethyl)phenoxy]-3-methoxypropan-2-ol
CID 63930638
3-[3-[3-[3-(2,3-dihydroxypropylsulfanyl)-2-hydroxypropoxy]phenoxy]-2-hydroxypropyl]sulfanylpropane-1,2-diol
CID 168796555
ethane;2-methylpropane;tris(3-phenoxypropane-1,2-diol);propane
CID 162110653
actinium;3-phenoxypropane-1,2-diol
CID 22981458

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(1S)-1-hydroxyethyl]phenoxy]propane-1,2-diol?
The IUPAC name of 3-[3-[(1S)-1-hydroxyethyl]phenoxy]propane-1,2-diol (CID 82849501) is 3-[3-[(1S)-1-hydroxyethyl]phenoxy]propane-1,2-diol.
What is the SMILES notation for 3-[3-[(1S)-1-hydroxyethyl]phenoxy]propane-1,2-diol?
The canonical SMILES for 3-[3-[(1S)-1-hydroxyethyl]phenoxy]propane-1,2-diol is C[C@H](O)c1cccc(OCC(O)CO)c1.
What is the InChIKey of 3-[3-[(1S)-1-hydroxyethyl]phenoxy]propane-1,2-diol?
The InChIKey is AWLQQQNSOZBJQB-PEHGTWAWSA-N. The full InChI is InChI=1S/C11H16O4/c1-8(13)9-3-2-4-11(5-9)15-7-10(14)6-12/h2-5,8,10,12-14H,6-7H2,1H3/t8-,10?/m0/s1.
What are the key properties of 3-[3-[(1S)-1-hydroxyethyl]phenoxy]propane-1,2-diol?
3-[3-[(1S)-1-hydroxyethyl]phenoxy]propane-1,2-diol has a molecular weight of 212.24 g/mol, XLogP of 0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(1S)-1-hydroxyethyl]phenoxy]propane-1,2-diol is sourced from PubChem (CID 82849501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).