2-cycloheptyl-5-methylphenol

C14H20O — CID 45096882

IUPAC2-cycloheptyl-5-methylphenol
SMILESCc1ccc(C2CCCCCC2)c(O)c1
InChIInChI=1S/C14H20O/c1-11-8-9-13(14(15)10-11)12-6-4-2-3-5-7-12/h8-10,12,15H,2-7H2,1H3
InChIKeyINYHHLMPHLWMBS-UHFFFAOYSA-N
MW204.31 g/mol
LogP4.14
Rot. Bonds1

About 2-cycloheptyl-5-methylphenol

2-cycloheptyl-5-methylphenol (PubChem CID 45096882) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 2-cycloheptyl-5-methylphenol.

Molecular Properties

Compound Name2-cycloheptyl-5-methylphenol
PubChem CID45096882
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name2-cycloheptyl-5-methylphenol
SMILESCc1ccc(C2CCCCCC2)c(O)c1
InChIInChI=1S/C14H20O/c1-11-8-9-13(14(15)10-11)12-6-4-2-3-5-7-12/h8-10,12,15H,2-7H2,1H3
InChIKeyINYHHLMPHLWMBS-UHFFFAOYSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-5-methylphenol?
The IUPAC name of 2-cycloheptyl-5-methylphenol (CID 45096882) is 2-cycloheptyl-5-methylphenol.
What is the SMILES notation for 2-cycloheptyl-5-methylphenol?
The canonical SMILES for 2-cycloheptyl-5-methylphenol is Cc1ccc(C2CCCCCC2)c(O)c1.
What is the InChIKey of 2-cycloheptyl-5-methylphenol?
The InChIKey is INYHHLMPHLWMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-11-8-9-13(14(15)10-11)12-6-4-2-3-5-7-12/h8-10,12,15H,2-7H2,1H3.
What are the key properties of 2-cycloheptyl-5-methylphenol?
2-cycloheptyl-5-methylphenol has a molecular weight of 204.31 g/mol, XLogP of 4.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-5-methylphenol is sourced from PubChem (CID 45096882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).