bicyclo[2.2.0]hexa-1,3,5-triene;methanol;propan-1-ol

C10H16O2 — CID 174662882

IUPACbicyclo[2.2.0]hexa-1,3,5-triene;methanol;propan-1-ol
SMILESCCCO.CO.c1cc2ccc1-2
InChIInChI=1S/C6H4.C3H8O.CH4O/c1-2-6-4-3-5(1)6;1-2-3-4;1-2/h1-4H;4H,2-3H2,1H3;2H,1H3
InChIKeyLCNQPHMLQYKDJO-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.66
Rot. Bonds1

About bicyclo[2.2.0]hexa-1,3,5-triene;methanol;propan-1-ol

bicyclo[2.2.0]hexa-1,3,5-triene;methanol;propan-1-ol (PubChem CID 174662882) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1,3,5-triene;methanol;propan-1-ol.

Molecular Properties

Compound Namebicyclo[2.2.0]hexa-1,3,5-triene;methanol;propan-1-ol
PubChem CID174662882
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namebicyclo[2.2.0]hexa-1,3,5-triene;methanol;propan-1-ol
SMILESCCCO.CO.c1cc2ccc1-2
InChIInChI=1S/C6H4.C3H8O.CH4O/c1-2-6-4-3-5(1)6;1-2-3-4;1-2/h1-4H;4H,2-3H2,1H3;2H,1H3
InChIKeyLCNQPHMLQYKDJO-UHFFFAOYSA-N
XLogP1.66
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;methanol;propan-1-ol?
The IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;methanol;propan-1-ol (CID 174662882) is bicyclo[2.2.0]hexa-1,3,5-triene;methanol;propan-1-ol.
What is the SMILES notation for bicyclo[2.2.0]hexa-1,3,5-triene;methanol;propan-1-ol?
The canonical SMILES for bicyclo[2.2.0]hexa-1,3,5-triene;methanol;propan-1-ol is CCCO.CO.c1cc2ccc1-2.
What is the InChIKey of bicyclo[2.2.0]hexa-1,3,5-triene;methanol;propan-1-ol?
The InChIKey is LCNQPHMLQYKDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.C3H8O.CH4O/c1-2-6-4-3-5(1)6;1-2-3-4;1-2/h1-4H;4H,2-3H2,1H3;2H,1H3.
What are the key properties of bicyclo[2.2.0]hexa-1,3,5-triene;methanol;propan-1-ol?
bicyclo[2.2.0]hexa-1,3,5-triene;methanol;propan-1-ol has a molecular weight of 168.24 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.0]hexa-1,3,5-triene;methanol;propan-1-ol is sourced from PubChem (CID 174662882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).