4-phenoxy-2-phenylbutane-1,3-diol

C16H18O3 — CID 57253485

IUPAC4-phenoxy-2-phenylbutane-1,3-diol
SMILESOCC(c1ccccc1)C(O)COc1ccccc1
InChIInChI=1S/C16H18O3/c17-11-15(13-7-3-1-4-8-13)16(18)12-19-14-9-5-2-6-10-14/h1-10,15-18H,11-12H2
InChIKeyMWUYRQYZMXNLJT-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.20
Rot. Bonds6

About 4-phenoxy-2-phenylbutane-1,3-diol

4-phenoxy-2-phenylbutane-1,3-diol (PubChem CID 57253485) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-phenoxy-2-phenylbutane-1,3-diol.

Molecular Properties

Compound Name4-phenoxy-2-phenylbutane-1,3-diol
PubChem CID57253485
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name4-phenoxy-2-phenylbutane-1,3-diol
SMILESOCC(c1ccccc1)C(O)COc1ccccc1
InChIInChI=1S/C16H18O3/c17-11-15(13-7-3-1-4-8-13)16(18)12-19-14-9-5-2-6-10-14/h1-10,15-18H,11-12H2
InChIKeyMWUYRQYZMXNLJT-UHFFFAOYSA-N
XLogP2.20
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenoxypropane-1,2-diol
CID 158587241
3-phenoxypropane-1,2-diol
CID 10857
(2R,3S)-1-phenoxybutane-2,3-diol
CID 91247113
(2S,3R)-1-phenoxybutane-2,3-diol
CID 91592541
actinium;3-phenoxypropane-1,2-diol
CID 22981458
2-(phenoxymethyl)propane-1,1,3,3-tetrol
CID 173269975
3-phenylperoxypropane-1,2-diol
CID 175055496
2-phenoxy-4-(2-phenoxyethoxy)butane-1,3-diol
CID 57241098
3-(2-hydroxy-3-phenoxypropyl)sulfanylpropane-1,2-diol
CID 10967176
(2R)-1-fluoro-3-phenoxypropan-2-ol
CID 100942917
2-hydroxy-3-phenoxypropanoic acid
CID 67592895
ethane;1-phenoxypropan-2-ol
CID 90926921

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-2-phenylbutane-1,3-diol?
The IUPAC name of 4-phenoxy-2-phenylbutane-1,3-diol (CID 57253485) is 4-phenoxy-2-phenylbutane-1,3-diol.
What is the SMILES notation for 4-phenoxy-2-phenylbutane-1,3-diol?
The canonical SMILES for 4-phenoxy-2-phenylbutane-1,3-diol is OCC(c1ccccc1)C(O)COc1ccccc1.
What is the InChIKey of 4-phenoxy-2-phenylbutane-1,3-diol?
The InChIKey is MWUYRQYZMXNLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c17-11-15(13-7-3-1-4-8-13)16(18)12-19-14-9-5-2-6-10-14/h1-10,15-18H,11-12H2.
What are the key properties of 4-phenoxy-2-phenylbutane-1,3-diol?
4-phenoxy-2-phenylbutane-1,3-diol has a molecular weight of 258.32 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-2-phenylbutane-1,3-diol is sourced from PubChem (CID 57253485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).