2-ethenylphenol;1H-pyrrole

C12H13NO — CID 69493248

IUPAC2-ethenylphenol;1H-pyrrole
SMILESC=Cc1ccccc1O.c1cc[nH]c1
InChIInChI=1S/C8H8O.C4H5N/c1-2-7-5-3-4-6-8(7)9;1-2-4-5-3-1/h2-6,9H,1H2;1-5H
InChIKeySAMLRGMCFUVGNI-UHFFFAOYSA-N
MW187.24 g/mol
LogP3.05
Rot. Bonds1

About 2-ethenylphenol;1H-pyrrole

2-ethenylphenol;1H-pyrrole (PubChem CID 69493248) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-ethenylphenol;1H-pyrrole.

Molecular Properties

Compound Name2-ethenylphenol;1H-pyrrole
PubChem CID69493248
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2-ethenylphenol;1H-pyrrole
SMILESC=Cc1ccccc1O.c1cc[nH]c1
InChIInChI=1S/C8H8O.C4H5N/c1-2-7-5-3-4-6-8(7)9;1-2-4-5-3-1/h2-6,9H,1H2;1-5H
InChIKeySAMLRGMCFUVGNI-UHFFFAOYSA-N
XLogP3.05
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylphenol;1H-pyrrole?
The IUPAC name of 2-ethenylphenol;1H-pyrrole (CID 69493248) is 2-ethenylphenol;1H-pyrrole.
What is the SMILES notation for 2-ethenylphenol;1H-pyrrole?
The canonical SMILES for 2-ethenylphenol;1H-pyrrole is C=Cc1ccccc1O.c1cc[nH]c1.
What is the InChIKey of 2-ethenylphenol;1H-pyrrole?
The InChIKey is SAMLRGMCFUVGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O.C4H5N/c1-2-7-5-3-4-6-8(7)9;1-2-4-5-3-1/h2-6,9H,1H2;1-5H.
What are the key properties of 2-ethenylphenol;1H-pyrrole?
2-ethenylphenol;1H-pyrrole has a molecular weight of 187.24 g/mol, XLogP of 3.05, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylphenol;1H-pyrrole is sourced from PubChem (CID 69493248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).