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

C11H16O3 — CID 139743448

IUPAC3-methoxy-4-phenylbutane-1,2-diol
SMILESCOC(Cc1ccccc1)C(O)CO
InChIInChI=1S/C11H16O3/c1-14-11(10(13)8-12)7-9-5-3-2-4-6-9/h2-6,10-13H,7-8H2,1H3
InChIKeyUQRGLYFGUKXMHL-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.60
Rot. Bonds5

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

3-methoxy-4-phenylbutane-1,2-diol (PubChem CID 139743448) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-methoxy-4-phenylbutane-1,2-diol.

Molecular Properties

Compound Name3-methoxy-4-phenylbutane-1,2-diol
PubChem CID139743448
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name3-methoxy-4-phenylbutane-1,2-diol
SMILESCOC(Cc1ccccc1)C(O)CO
InChIInChI=1S/C11H16O3/c1-14-11(10(13)8-12)7-9-5-3-2-4-6-9/h2-6,10-13H,7-8H2,1H3
InChIKeyUQRGLYFGUKXMHL-UHFFFAOYSA-N
XLogP0.60
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,6S)-2,3,6-trihydroxy-7-methoxy-1,8-diphenyloctane-4,5-dione
CID 54250401
(2R)-2-methoxy-3-phenylpropan-1-ol
CID 12696531
3-(4-methylpent-1-enoxy)-4-phenylbutane-1,2-diol
CID 139743449
[(2S,3S)-2-methoxy-3-methylhex-4-ynyl]benzene
CID 10821998
(2S,3S)-3-benzylbutane-1,2,4-triol
CID 13198346
(2S,3S)-3-phenylmethoxybutane-1,2,4-triol
CID 10921802
(2S,3S,4S,5S)-7-phenylheptane-1,2,3,4,5,6-hexol
CID 159388961
(2S,3R)-3-methoxy-3-phenylpropane-1,2-diol
CID 14249015
(2S,3R)-3-amino-4-phenylbutane-1,2-diol
CID 11789833
(2S,3S)-3-amino-4-phenylbutane-1,2-diol;hydrochloride
CID 139714865
(2R,3S)-3-(dibenzylamino)-4-phenylbutane-1,2-diol
CID 11142964
1-methoxy-1-(methylamino)-3-phenylpropan-2-ol
CID 155698723

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-phenylbutane-1,2-diol?
The IUPAC name of 3-methoxy-4-phenylbutane-1,2-diol (CID 139743448) is 3-methoxy-4-phenylbutane-1,2-diol.
What is the SMILES notation for 3-methoxy-4-phenylbutane-1,2-diol?
The canonical SMILES for 3-methoxy-4-phenylbutane-1,2-diol is COC(Cc1ccccc1)C(O)CO.
What is the InChIKey of 3-methoxy-4-phenylbutane-1,2-diol?
The InChIKey is UQRGLYFGUKXMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-14-11(10(13)8-12)7-9-5-3-2-4-6-9/h2-6,10-13H,7-8H2,1H3.
What are the key properties of 3-methoxy-4-phenylbutane-1,2-diol?
3-methoxy-4-phenylbutane-1,2-diol has a molecular weight of 196.25 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-phenylbutane-1,2-diol is sourced from PubChem (CID 139743448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).