3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propane-1,2-diol

C13H18O4 — CID 20839076

IUPAC3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propane-1,2-diol
SMILESC/C=C\c1ccc(OCC(O)CO)c(OC)c1
InChIInChI=1S/C13H18O4/c1-3-4-10-5-6-12(13(7-10)16-2)17-9-11(15)8-14/h3-7,11,14-15H,8-9H2,1-2H3/b4-3-
InChIKeyYALMSVPZUBFYJT-ARJAWSKDSA-N
MW238.28 g/mol
LogP1.46
Rot. Bonds6

About 3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propane-1,2-diol

3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propane-1,2-diol (PubChem CID 20839076) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propane-1,2-diol
PubChem CID20839076
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propane-1,2-diol
SMILESC/C=C\c1ccc(OCC(O)CO)c(OC)c1
InChIInChI=1S/C13H18O4/c1-3-4-10-5-6-12(13(7-10)16-2)17-9-11(15)8-14/h3-7,11,14-15H,8-9H2,1-2H3/b4-3-
InChIKeyYALMSVPZUBFYJT-ARJAWSKDSA-N
XLogP1.46
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-1-hydroxybutan-2-yl]-[(2R)-2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]azanium
CID 7998341
cyclopropyl-[(2R)-2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]azanium
CID 7830788
(2R)-1-(azocan-1-ium-1-yl)-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propan-2-ol
CID 2510300
3-(2,3-dihydroxypropoxy)-4-methoxybenzaldehyde
CID 82849933
(2R)-3-(2-methoxy-4-methylphenoxy)propane-1,2-diol
CID 58551347
3-(4-amino-2-methoxyphenoxy)propane-1,2-diol
CID 82842415
3-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propane-1,2-diol
CID 82851067
1-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-3-[methyl(3-phenylpropyl)amino]propan-2-ol
CID 55703546
(3aR,7aR)-2-[(2R)-2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 129420701
(E)-3-[4-[2-[[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]amino]ethoxy]-3-methoxyphenyl]prop-2-enoic acid
CID 11236443
4-[2-[[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]amino]ethoxy]-3-methoxybenzoic acid
CID 11144502
1-(2-methoxy-4-prop-1-enylphenoxy)-3-methylbutan-2-one
CID 79395591

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propane-1,2-diol?
The IUPAC name of 3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propane-1,2-diol (CID 20839076) is 3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propane-1,2-diol.
What is the SMILES notation for 3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propane-1,2-diol?
The canonical SMILES for 3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propane-1,2-diol is C/C=C\c1ccc(OCC(O)CO)c(OC)c1.
What is the InChIKey of 3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propane-1,2-diol?
The InChIKey is YALMSVPZUBFYJT-ARJAWSKDSA-N. The full InChI is InChI=1S/C13H18O4/c1-3-4-10-5-6-12(13(7-10)16-2)17-9-11(15)8-14/h3-7,11,14-15H,8-9H2,1-2H3/b4-3-.
What are the key properties of 3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propane-1,2-diol?
3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propane-1,2-diol has a molecular weight of 238.28 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propane-1,2-diol is sourced from PubChem (CID 20839076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).