2-(cycloheptylmethyl)phenol

C14H20O — CID 115023701

IUPAC2-(cycloheptylmethyl)phenol
SMILESOc1ccccc1CC1CCCCCC1
InChIInChI=1S/C14H20O/c15-14-10-6-5-9-13(14)11-12-7-3-1-2-4-8-12/h5-6,9-10,12,15H,1-4,7-8,11H2
InChIKeyYIMHRRHIUNUMCM-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.91
Rot. Bonds2

About 2-(cycloheptylmethyl)phenol

2-(cycloheptylmethyl)phenol (PubChem CID 115023701) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 2-(cycloheptylmethyl)phenol.

Molecular Properties

Compound Name2-(cycloheptylmethyl)phenol
PubChem CID115023701
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name2-(cycloheptylmethyl)phenol
SMILESOc1ccccc1CC1CCCCCC1
InChIInChI=1S/C14H20O/c15-14-10-6-5-9-13(14)11-12-7-3-1-2-4-8-12/h5-6,9-10,12,15H,1-4,7-8,11H2
InChIKeyYIMHRRHIUNUMCM-UHFFFAOYSA-N
XLogP3.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylmethyl)phenol?
The IUPAC name of 2-(cycloheptylmethyl)phenol (CID 115023701) is 2-(cycloheptylmethyl)phenol.
What is the SMILES notation for 2-(cycloheptylmethyl)phenol?
The canonical SMILES for 2-(cycloheptylmethyl)phenol is Oc1ccccc1CC1CCCCCC1.
What is the InChIKey of 2-(cycloheptylmethyl)phenol?
The InChIKey is YIMHRRHIUNUMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c15-14-10-6-5-9-13(14)11-12-7-3-1-2-4-8-12/h5-6,9-10,12,15H,1-4,7-8,11H2.
What are the key properties of 2-(cycloheptylmethyl)phenol?
2-(cycloheptylmethyl)phenol has a molecular weight of 204.31 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylmethyl)phenol is sourced from PubChem (CID 115023701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).