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

C9H12O — CID 19593149

IUPACbicyclo[2.2.0]hexa-1,3,5-triene;propan-1-ol
SMILESCCCO.c1cc2ccc1-2
InChIInChI=1S/C6H4.C3H8O/c1-2-6-4-3-5(1)6;1-2-3-4/h1-4H;4H,2-3H2,1H3
InChIKeyMMZHLIPLPWQMCQ-UHFFFAOYSA-N
MW136.19 g/mol
LogP2.06
Rot. Bonds1

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

bicyclo[2.2.0]hexa-1,3,5-triene;propan-1-ol (PubChem CID 19593149) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1,3,5-triene;propan-1-ol.

Molecular Properties

Compound Namebicyclo[2.2.0]hexa-1,3,5-triene;propan-1-ol
PubChem CID19593149
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Namebicyclo[2.2.0]hexa-1,3,5-triene;propan-1-ol
SMILESCCCO.c1cc2ccc1-2
InChIInChI=1S/C6H4.C3H8O/c1-2-6-4-3-5(1)6;1-2-3-4/h1-4H;4H,2-3H2,1H3
InChIKeyMMZHLIPLPWQMCQ-UHFFFAOYSA-N
XLogP2.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.06
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;propan-1-ol?
The IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;propan-1-ol (CID 19593149) is bicyclo[2.2.0]hexa-1,3,5-triene;propan-1-ol.
What is the SMILES notation for bicyclo[2.2.0]hexa-1,3,5-triene;propan-1-ol?
The canonical SMILES for bicyclo[2.2.0]hexa-1,3,5-triene;propan-1-ol is CCCO.c1cc2ccc1-2.
What is the InChIKey of bicyclo[2.2.0]hexa-1,3,5-triene;propan-1-ol?
The InChIKey is MMZHLIPLPWQMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.C3H8O/c1-2-6-4-3-5(1)6;1-2-3-4/h1-4H;4H,2-3H2,1H3.
What are the key properties of bicyclo[2.2.0]hexa-1,3,5-triene;propan-1-ol?
bicyclo[2.2.0]hexa-1,3,5-triene;propan-1-ol has a molecular weight of 136.19 g/mol, XLogP of 2.06, 1 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;propan-1-ol is sourced from PubChem (CID 19593149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).