5-methyl-2-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)phenol

C17H24O — CID 3572630

IUPAC5-methyl-2-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)phenol
SMILESCc1ccc(C2CC3CC2C(C)C3(C)C)c(O)c1
InChIInChI=1S/C17H24O/c1-10-5-6-13(16(18)7-10)15-9-12-8-14(15)11(2)17(12,3)4/h5-7,11-12,14-15,18H,8-9H2,1-4H3
InChIKeyGAFLGZGJEOWWEJ-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.49
Rot. Bonds1

About 5-methyl-2-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)phenol

5-methyl-2-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)phenol (PubChem CID 3572630) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 5-methyl-2-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)phenol.

Molecular Properties

Compound Name5-methyl-2-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)phenol
PubChem CID3572630
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name5-methyl-2-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)phenol
SMILESCc1ccc(C2CC3CC2C(C)C3(C)C)c(O)c1
InChIInChI=1S/C17H24O/c1-10-5-6-13(16(18)7-10)15-9-12-8-14(15)11(2)17(12,3)4/h5-7,11-12,14-15,18H,8-9H2,1-4H3
InChIKeyGAFLGZGJEOWWEJ-UHFFFAOYSA-N
XLogP4.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)phenol?
The IUPAC name of 5-methyl-2-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)phenol (CID 3572630) is 5-methyl-2-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)phenol.
What is the SMILES notation for 5-methyl-2-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)phenol?
The canonical SMILES for 5-methyl-2-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)phenol is Cc1ccc(C2CC3CC2C(C)C3(C)C)c(O)c1.
What is the InChIKey of 5-methyl-2-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)phenol?
The InChIKey is GAFLGZGJEOWWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-10-5-6-13(16(18)7-10)15-9-12-8-14(15)11(2)17(12,3)4/h5-7,11-12,14-15,18H,8-9H2,1-4H3.
What are the key properties of 5-methyl-2-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)phenol?
5-methyl-2-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)phenol has a molecular weight of 244.38 g/mol, XLogP of 4.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)phenol is sourced from PubChem (CID 3572630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).