bicyclo[2.2.0]hexa-1,3,5-triene;ethanol

C8H10O — CID 67410452

IUPACbicyclo[2.2.0]hexa-1,3,5-triene;ethanol
SMILESCCO.c1cc2ccc1-2
InChIInChI=1S/C6H4.C2H6O/c1-2-6-4-3-5(1)6;1-2-3/h1-4H;3H,2H2,1H3
InChIKeyVVDSWPUSVIXEPT-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.67
Rot. Bonds

About bicyclo[2.2.0]hexa-1,3,5-triene;ethanol

bicyclo[2.2.0]hexa-1,3,5-triene;ethanol (PubChem CID 67410452) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1,3,5-triene;ethanol.

Molecular Properties

Compound Namebicyclo[2.2.0]hexa-1,3,5-triene;ethanol
PubChem CID67410452
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Namebicyclo[2.2.0]hexa-1,3,5-triene;ethanol
SMILESCCO.c1cc2ccc1-2
InChIInChI=1S/C6H4.C2H6O/c1-2-6-4-3-5(1)6;1-2-3/h1-4H;3H,2H2,1H3
InChIKeyVVDSWPUSVIXEPT-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;ethanol?
The IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;ethanol (CID 67410452) is bicyclo[2.2.0]hexa-1,3,5-triene;ethanol.
What is the SMILES notation for bicyclo[2.2.0]hexa-1,3,5-triene;ethanol?
The canonical SMILES for bicyclo[2.2.0]hexa-1,3,5-triene;ethanol is CCO.c1cc2ccc1-2.
What is the InChIKey of bicyclo[2.2.0]hexa-1,3,5-triene;ethanol?
The InChIKey is VVDSWPUSVIXEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.C2H6O/c1-2-6-4-3-5(1)6;1-2-3/h1-4H;3H,2H2,1H3.
What are the key properties of bicyclo[2.2.0]hexa-1,3,5-triene;ethanol?
bicyclo[2.2.0]hexa-1,3,5-triene;ethanol has a molecular weight of 122.17 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.0]hexa-1,3,5-triene;ethanol is sourced from PubChem (CID 67410452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).