4-cycloheptyloxyphenol

C13H18O2 — CID 67178425

IUPAC4-cycloheptyloxyphenol
SMILESOc1ccc(OC2CCCCCC2)cc1
InChIInChI=1S/C13H18O2/c14-11-7-9-13(10-8-11)15-12-5-3-1-2-4-6-12/h7-10,12,14H,1-6H2
InChIKeyNTTLGFBHTKUAAI-UHFFFAOYSA-N
MW206.29 g/mol
LogP3.49
Rot. Bonds2

About 4-cycloheptyloxyphenol

4-cycloheptyloxyphenol (PubChem CID 67178425) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-cycloheptyloxyphenol.

Molecular Properties

Compound Name4-cycloheptyloxyphenol
PubChem CID67178425
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name4-cycloheptyloxyphenol
SMILESOc1ccc(OC2CCCCCC2)cc1
InChIInChI=1S/C13H18O2/c14-11-7-9-13(10-8-11)15-12-5-3-1-2-4-6-12/h7-10,12,14H,1-6H2
InChIKeyNTTLGFBHTKUAAI-UHFFFAOYSA-N
XLogP3.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyloxyphenol?
The IUPAC name of 4-cycloheptyloxyphenol (CID 67178425) is 4-cycloheptyloxyphenol.
What is the SMILES notation for 4-cycloheptyloxyphenol?
The canonical SMILES for 4-cycloheptyloxyphenol is Oc1ccc(OC2CCCCCC2)cc1.
What is the InChIKey of 4-cycloheptyloxyphenol?
The InChIKey is NTTLGFBHTKUAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c14-11-7-9-13(10-8-11)15-12-5-3-1-2-4-6-12/h7-10,12,14H,1-6H2.
What are the key properties of 4-cycloheptyloxyphenol?
4-cycloheptyloxyphenol has a molecular weight of 206.29 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyloxyphenol is sourced from PubChem (CID 67178425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).