propane-1,2-diol;prop-1-enylbenzene

C12H18O2 — CID 161072622

IUPACpropane-1,2-diol;prop-1-enylbenzene
SMILESCC(O)CO.CC=Cc1ccccc1
InChIInChI=1S/C9H10.C3H8O2/c1-2-6-9-7-4-3-5-8-9;1-3(5)2-4/h2-8H,1H3;3-5H,2H2,1H3
InChIKeyUEVYDNUJXWTDME-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.08
Rot. Bonds2

About propane-1,2-diol;prop-1-enylbenzene

propane-1,2-diol;prop-1-enylbenzene (PubChem CID 161072622) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is propane-1,2-diol;prop-1-enylbenzene.

Molecular Properties

Compound Namepropane-1,2-diol;prop-1-enylbenzene
PubChem CID161072622
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Namepropane-1,2-diol;prop-1-enylbenzene
SMILESCC(O)CO.CC=Cc1ccccc1
InChIInChI=1S/C9H10.C3H8O2/c1-2-6-9-7-4-3-5-8-9;1-3(5)2-4/h2-8H,1H3;3-5H,2H2,1H3
InChIKeyUEVYDNUJXWTDME-UHFFFAOYSA-N
XLogP2.08
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;[(Z)-prop-1-enyl]benzene
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2-methylprop-1-ene;prop-1-enylbenzene
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prop-1-enylbenzene;thiourea
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(3R)-4-hydroxy-3-(methylamino)butan-2-one;methane;prop-1-enylbenzene
CID 158715698
phenol;propane-1,2-diol;prop-1-ene
CID 174392843
prop-1-enylbenzene;trimethylazanium;bromide
CID 69252782
buta-1,3-diene;bis(prop-1-enylbenzene)
CID 172716960
[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene;propane-1,2,3-triol
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CID 11457765

Frequently Asked Questions

What is the IUPAC name of propane-1,2-diol;prop-1-enylbenzene?
The IUPAC name of propane-1,2-diol;prop-1-enylbenzene (CID 161072622) is propane-1,2-diol;prop-1-enylbenzene.
What is the SMILES notation for propane-1,2-diol;prop-1-enylbenzene?
The canonical SMILES for propane-1,2-diol;prop-1-enylbenzene is CC(O)CO.CC=Cc1ccccc1.
What is the InChIKey of propane-1,2-diol;prop-1-enylbenzene?
The InChIKey is UEVYDNUJXWTDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.C3H8O2/c1-2-6-9-7-4-3-5-8-9;1-3(5)2-4/h2-8H,1H3;3-5H,2H2,1H3.
What are the key properties of propane-1,2-diol;prop-1-enylbenzene?
propane-1,2-diol;prop-1-enylbenzene has a molecular weight of 194.27 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1,2-diol;prop-1-enylbenzene is sourced from PubChem (CID 161072622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).