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

C12H16O3 — CID 66896080

IUPAC3-[2-[(Z)-prop-1-enyl]phenoxy]propane-1,2-diol
SMILESC/C=C\c1ccccc1OCC(O)CO
InChIInChI=1S/C12H16O3/c1-2-5-10-6-3-4-7-12(10)15-9-11(14)8-13/h2-7,11,13-14H,8-9H2,1H3/b5-2-
InChIKeyZRXKVAGAQIRBMC-DJWKRKHSSA-N
MW208.26 g/mol
LogP1.45
Rot. Bonds5

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

3-[2-[(Z)-prop-1-enyl]phenoxy]propane-1,2-diol (PubChem CID 66896080) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-[2-[(Z)-prop-1-enyl]phenoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-[(Z)-prop-1-enyl]phenoxy]propane-1,2-diol
PubChem CID66896080
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name3-[2-[(Z)-prop-1-enyl]phenoxy]propane-1,2-diol
SMILESC/C=C\c1ccccc1OCC(O)CO
InChIInChI=1S/C12H16O3/c1-2-5-10-6-3-4-7-12(10)15-9-11(14)8-13/h2-7,11,13-14H,8-9H2,1H3/b5-2-
InChIKeyZRXKVAGAQIRBMC-DJWKRKHSSA-N
XLogP1.45
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(Z)-prop-1-enyl]phenoxy]propane-1,2-diol?
The IUPAC name of 3-[2-[(Z)-prop-1-enyl]phenoxy]propane-1,2-diol (CID 66896080) is 3-[2-[(Z)-prop-1-enyl]phenoxy]propane-1,2-diol.
What is the SMILES notation for 3-[2-[(Z)-prop-1-enyl]phenoxy]propane-1,2-diol?
The canonical SMILES for 3-[2-[(Z)-prop-1-enyl]phenoxy]propane-1,2-diol is C/C=C\c1ccccc1OCC(O)CO.
What is the InChIKey of 3-[2-[(Z)-prop-1-enyl]phenoxy]propane-1,2-diol?
The InChIKey is ZRXKVAGAQIRBMC-DJWKRKHSSA-N. The full InChI is InChI=1S/C12H16O3/c1-2-5-10-6-3-4-7-12(10)15-9-11(14)8-13/h2-7,11,13-14H,8-9H2,1H3/b5-2-.
What are the key properties of 3-[2-[(Z)-prop-1-enyl]phenoxy]propane-1,2-diol?
3-[2-[(Z)-prop-1-enyl]phenoxy]propane-1,2-diol has a molecular weight of 208.26 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(Z)-prop-1-enyl]phenoxy]propane-1,2-diol is sourced from PubChem (CID 66896080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).