ethene;phenol

C8H10O — CID 22228706

IUPACethene;phenol
SMILESC=C.Oc1ccccc1
InChIInChI=1S/C6H6O.C2H4/c7-6-4-2-1-3-5-6;1-2/h1-5,7H;1-2H2
InChIKeyYXOGSLZKOVPUMH-UHFFFAOYSA-N
MW122.17 g/mol
LogP2.19
Rot. Bonds

About ethene;phenol

ethene;phenol (PubChem CID 22228706) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is ethene;phenol.

Molecular Properties

Compound Nameethene;phenol
PubChem CID22228706
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Nameethene;phenol
SMILESC=C.Oc1ccccc1
InChIInChI=1S/C6H6O.C2H4/c7-6-4-2-1-3-5-6;1-2/h1-5,7H;1-2H2
InChIKeyYXOGSLZKOVPUMH-UHFFFAOYSA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

molybdenum;phenol
CID 154246724
argon;phenol
CID 159678450
phenol;phosphane
CID 159689182
CID 67496590
CID 67496590
phenol;tantalum
CID 19915613
neodymium;phenol
CID 154361260
phenol;titanium(2+)
CID 23042599
CID 159904044
CID 159904044
aluminum phenol
CID 19023057
CID 161001247
CID 161001247
phenol;chloride
CID 23313261
phenol;bis(yttrium)
CID 59089942

Frequently Asked Questions

What is the IUPAC name of ethene;phenol?
The IUPAC name of ethene;phenol (CID 22228706) is ethene;phenol.
What is the SMILES notation for ethene;phenol?
The canonical SMILES for ethene;phenol is C=C.Oc1ccccc1.
What is the InChIKey of ethene;phenol?
The InChIKey is YXOGSLZKOVPUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.C2H4/c7-6-4-2-1-3-5-6;1-2/h1-5,7H;1-2H2.
What are the key properties of ethene;phenol?
ethene;phenol has a molecular weight of 122.17 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;phenol is sourced from PubChem (CID 22228706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).