4-methylphenol;tricyclo[5.2.2.02,6]undecane

C18H26O — CID 122164942

IUPAC4-methylphenol;tricyclo[5.2.2.02,6]undecane
SMILESC1CC2C3CCC(CC3)C2C1.Cc1ccc(O)cc1
InChIInChI=1S/C11H18.C7H8O/c1-2-10-8-4-6-9(7-5-8)11(10)3-1;1-6-2-4-7(8)5-3-6/h8-11H,1-7H2;2-5,8H,1H3
InChIKeyWHFFZLLDPXGFIX-UHFFFAOYSA-N
MW258.40 g/mol
LogP4.92
Rot. Bonds

About 4-methylphenol;tricyclo[5.2.2.02,6]undecane

4-methylphenol;tricyclo[5.2.2.02,6]undecane (PubChem CID 122164942) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 4-methylphenol;tricyclo[5.2.2.02,6]undecane.

Molecular Properties

Compound Name4-methylphenol;tricyclo[5.2.2.02,6]undecane
PubChem CID122164942
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name4-methylphenol;tricyclo[5.2.2.02,6]undecane
SMILESC1CC2C3CCC(CC3)C2C1.Cc1ccc(O)cc1
InChIInChI=1S/C11H18.C7H8O/c1-2-10-8-4-6-9(7-5-8)11(10)3-1;1-6-2-4-7(8)5-3-6/h8-11H,1-7H2;2-5,8H,1H3
InChIKeyWHFFZLLDPXGFIX-UHFFFAOYSA-N
XLogP4.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methylphenol;tricyclo[5.2.2.02,6]undecane?
The IUPAC name of 4-methylphenol;tricyclo[5.2.2.02,6]undecane (CID 122164942) is 4-methylphenol;tricyclo[5.2.2.02,6]undecane.
What is the SMILES notation for 4-methylphenol;tricyclo[5.2.2.02,6]undecane?
The canonical SMILES for 4-methylphenol;tricyclo[5.2.2.02,6]undecane is C1CC2C3CCC(CC3)C2C1.Cc1ccc(O)cc1.
What is the InChIKey of 4-methylphenol;tricyclo[5.2.2.02,6]undecane?
The InChIKey is WHFFZLLDPXGFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18.C7H8O/c1-2-10-8-4-6-9(7-5-8)11(10)3-1;1-6-2-4-7(8)5-3-6/h8-11H,1-7H2;2-5,8H,1H3.
What are the key properties of 4-methylphenol;tricyclo[5.2.2.02,6]undecane?
4-methylphenol;tricyclo[5.2.2.02,6]undecane has a molecular weight of 258.40 g/mol, XLogP of 4.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylphenol;tricyclo[5.2.2.02,6]undecane is sourced from PubChem (CID 122164942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).