ethane-1,2-diol;prop-1-en-2-ylbenzene

C11H16O2 — CID 68647860

IUPACethane-1,2-diol;prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccccc1.OCCO
InChIInChI=1S/C9H10.C2H6O2/c1-8(2)9-6-4-3-5-7-9;3-1-2-4/h3-7H,1H2,2H3;3-4H,1-2H2
InChIKeyVFYFIEYFVXIKLJ-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.69
Rot. Bonds2

About ethane-1,2-diol;prop-1-en-2-ylbenzene

ethane-1,2-diol;prop-1-en-2-ylbenzene (PubChem CID 68647860) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is ethane-1,2-diol;prop-1-en-2-ylbenzene.

Molecular Properties

Compound Nameethane-1,2-diol;prop-1-en-2-ylbenzene
PubChem CID68647860
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Nameethane-1,2-diol;prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccccc1.OCCO
InChIInChI=1S/C9H10.C2H6O2/c1-8(2)9-6-4-3-5-7-9;3-1-2-4/h3-7H,1H2,2H3;3-4H,1-2H2
InChIKeyVFYFIEYFVXIKLJ-UHFFFAOYSA-N
XLogP1.69
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;prop-1-en-2-ylbenzene?
The IUPAC name of ethane-1,2-diol;prop-1-en-2-ylbenzene (CID 68647860) is ethane-1,2-diol;prop-1-en-2-ylbenzene.
What is the SMILES notation for ethane-1,2-diol;prop-1-en-2-ylbenzene?
The canonical SMILES for ethane-1,2-diol;prop-1-en-2-ylbenzene is C=C(C)c1ccccc1.OCCO.
What is the InChIKey of ethane-1,2-diol;prop-1-en-2-ylbenzene?
The InChIKey is VFYFIEYFVXIKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.C2H6O2/c1-8(2)9-6-4-3-5-7-9;3-1-2-4/h3-7H,1H2,2H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;prop-1-en-2-ylbenzene?
ethane-1,2-diol;prop-1-en-2-ylbenzene has a molecular weight of 180.25 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;prop-1-en-2-ylbenzene is sourced from PubChem (CID 68647860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).