propane-1,2,3-triol;1-prop-2-enyl-2-(2-prop-2-enylphenoxy)benzene

C21H26O4 — CID 70576307

IUPACpropane-1,2,3-triol;1-prop-2-enyl-2-(2-prop-2-enylphenoxy)benzene
SMILESC=CCc1ccccc1Oc1ccccc1CC=C.OCC(O)CO
InChIInChI=1S/C18H18O.C3H8O3/c1-3-9-15-11-5-7-13-17(15)19-18-14-8-6-12-16(18)10-4-2;4-1-3(6)2-5/h3-8,11-14H,1-2,9-10H2;3-6H,1-2H2
InChIKeySMUVHGVTSOCMJR-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.27
Rot. Bonds8

About propane-1,2,3-triol;1-prop-2-enyl-2-(2-prop-2-enylphenoxy)benzene

propane-1,2,3-triol;1-prop-2-enyl-2-(2-prop-2-enylphenoxy)benzene (PubChem CID 70576307) has the molecular formula C21H26O4 and a molecular weight of 342.44 g/mol. Its IUPAC name is propane-1,2,3-triol;1-prop-2-enyl-2-(2-prop-2-enylphenoxy)benzene.

Molecular Properties

Compound Namepropane-1,2,3-triol;1-prop-2-enyl-2-(2-prop-2-enylphenoxy)benzene
PubChem CID70576307
Molecular FormulaC21H26O4
Molecular Weight342.44 g/mol
Exact Mass342.18
IUPAC Namepropane-1,2,3-triol;1-prop-2-enyl-2-(2-prop-2-enylphenoxy)benzene
SMILESC=CCc1ccccc1Oc1ccccc1CC=C.OCC(O)CO
InChIInChI=1S/C18H18O.C3H8O3/c1-3-9-15-11-5-7-13-17(15)19-18-14-8-6-12-16(18)10-4-2;4-1-3(6)2-5/h3-8,11-14H,1-2,9-10H2;3-6H,1-2H2
InChIKeySMUVHGVTSOCMJR-UHFFFAOYSA-N
XLogP3.27
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethoxyethane;1-prop-2-enyl-2-(2-prop-2-enylphenoxy)benzene
CID 154957356
molecular nitrogen;1-phenoxy-2-prop-2-enylbenzene
CID 70452460
1-(2-prop-2-enylphenoxy)propan-1-ol
CID 70371312
(2S)-1-[bis(2-hydroxyethyl)amino]-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 2046985
[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-dimethyl-propan-2-ylazanium
CID 6543364
1-(2-prop-2-enylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
CID 43859409
phenyl-[4-(2-prop-2-enylphenoxy)phenyl]methanone
CID 68914261
bis(2-prop-2-enylphenyl) hydrogen phosphate
CID 68656699
CID 15477926
CID 15477926
CID 13455471
CID 13455471
2-(2-methoxyphenoxy)-6-prop-2-enylphenol
CID 22672183
(2-prop-2-enylphenyl) acetate;dihydrobromide
CID 70043796

Frequently Asked Questions

What is the IUPAC name of propane-1,2,3-triol;1-prop-2-enyl-2-(2-prop-2-enylphenoxy)benzene?
The IUPAC name of propane-1,2,3-triol;1-prop-2-enyl-2-(2-prop-2-enylphenoxy)benzene (CID 70576307) is propane-1,2,3-triol;1-prop-2-enyl-2-(2-prop-2-enylphenoxy)benzene.
What is the SMILES notation for propane-1,2,3-triol;1-prop-2-enyl-2-(2-prop-2-enylphenoxy)benzene?
The canonical SMILES for propane-1,2,3-triol;1-prop-2-enyl-2-(2-prop-2-enylphenoxy)benzene is C=CCc1ccccc1Oc1ccccc1CC=C.OCC(O)CO.
What is the InChIKey of propane-1,2,3-triol;1-prop-2-enyl-2-(2-prop-2-enylphenoxy)benzene?
The InChIKey is SMUVHGVTSOCMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O.C3H8O3/c1-3-9-15-11-5-7-13-17(15)19-18-14-8-6-12-16(18)10-4-2;4-1-3(6)2-5/h3-8,11-14H,1-2,9-10H2;3-6H,1-2H2.
What are the key properties of propane-1,2,3-triol;1-prop-2-enyl-2-(2-prop-2-enylphenoxy)benzene?
propane-1,2,3-triol;1-prop-2-enyl-2-(2-prop-2-enylphenoxy)benzene has a molecular weight of 342.44 g/mol, XLogP of 3.27, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1,2,3-triol;1-prop-2-enyl-2-(2-prop-2-enylphenoxy)benzene is sourced from PubChem (CID 70576307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).