bicyclo[2.2.0]hexane;2-methylphenol

C13H18O — CID 70270584

IUPACbicyclo[2.2.0]hexane;2-methylphenol
SMILESC1CC2CCC12.Cc1ccccc1O
InChIInChI=1S/C7H8O.C6H10/c1-6-4-2-3-5-7(6)8;1-2-6-4-3-5(1)6/h2-5,8H,1H3;5-6H,1-4H2
InChIKeyCBOBBXWEMMZMCM-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.51
Rot. Bonds

About bicyclo[2.2.0]hexane;2-methylphenol

bicyclo[2.2.0]hexane;2-methylphenol (PubChem CID 70270584) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is bicyclo[2.2.0]hexane;2-methylphenol.

Molecular Properties

Compound Namebicyclo[2.2.0]hexane;2-methylphenol
PubChem CID70270584
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Namebicyclo[2.2.0]hexane;2-methylphenol
SMILESC1CC2CCC12.Cc1ccccc1O
InChIInChI=1S/C7H8O.C6H10/c1-6-4-2-3-5-7(6)8;1-2-6-4-3-5(1)6/h2-5,8H,1H3;5-6H,1-4H2
InChIKeyCBOBBXWEMMZMCM-UHFFFAOYSA-N
XLogP3.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.51
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]hexane;2-methylphenol?
The IUPAC name of bicyclo[2.2.0]hexane;2-methylphenol (CID 70270584) is bicyclo[2.2.0]hexane;2-methylphenol.
What is the SMILES notation for bicyclo[2.2.0]hexane;2-methylphenol?
The canonical SMILES for bicyclo[2.2.0]hexane;2-methylphenol is C1CC2CCC12.Cc1ccccc1O.
What is the InChIKey of bicyclo[2.2.0]hexane;2-methylphenol?
The InChIKey is CBOBBXWEMMZMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C6H10/c1-6-4-2-3-5-7(6)8;1-2-6-4-3-5(1)6/h2-5,8H,1H3;5-6H,1-4H2.
What are the key properties of bicyclo[2.2.0]hexane;2-methylphenol?
bicyclo[2.2.0]hexane;2-methylphenol has a molecular weight of 190.29 g/mol, XLogP of 3.51, 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]hexane;2-methylphenol is sourced from PubChem (CID 70270584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).