3-cyclopentylphenol

C11H14O — CID 22497995

IUPAC3-cyclopentylphenol
SMILESOc1cccc(C2CCCC2)c1
InChIInChI=1S/C11H14O/c12-11-7-3-6-10(8-11)9-4-1-2-5-9/h3,6-9,12H,1-2,4-5H2
InChIKeyNZJMQFDGADIRLV-UHFFFAOYSA-N
MW162.23 g/mol
LogP3.05
Rot. Bonds1

About 3-cyclopentylphenol

3-cyclopentylphenol (PubChem CID 22497995) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 3-cyclopentylphenol.

Molecular Properties

Compound Name3-cyclopentylphenol
PubChem CID22497995
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name3-cyclopentylphenol
SMILESOc1cccc(C2CCCC2)c1
InChIInChI=1S/C11H14O/c12-11-7-3-6-10(8-11)9-4-1-2-5-9/h3,6-9,12H,1-2,4-5H2
InChIKeyNZJMQFDGADIRLV-UHFFFAOYSA-N
XLogP3.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylphenol?
The IUPAC name of 3-cyclopentylphenol (CID 22497995) is 3-cyclopentylphenol.
What is the SMILES notation for 3-cyclopentylphenol?
The canonical SMILES for 3-cyclopentylphenol is Oc1cccc(C2CCCC2)c1.
What is the InChIKey of 3-cyclopentylphenol?
The InChIKey is NZJMQFDGADIRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c12-11-7-3-6-10(8-11)9-4-1-2-5-9/h3,6-9,12H,1-2,4-5H2.
What are the key properties of 3-cyclopentylphenol?
3-cyclopentylphenol has a molecular weight of 162.23 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylphenol is sourced from PubChem (CID 22497995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).