4-(1-chlorocyclopentyl)phenol

C11H13ClO — CID 174776668

IUPAC4-(1-chlorocyclopentyl)phenol
SMILESOc1ccc(C2(Cl)CCCC2)cc1
InChIInChI=1S/C11H13ClO/c12-11(7-1-2-8-11)9-3-5-10(13)6-4-9/h3-6,13H,1-2,7-8H2
InChIKeyMKXXFVNURCWZFZ-UHFFFAOYSA-N
MW196.68 g/mol
LogP3.40
Rot. Bonds1

About 4-(1-chlorocyclopentyl)phenol

4-(1-chlorocyclopentyl)phenol (PubChem CID 174776668) has the molecular formula C11H13ClO and a molecular weight of 196.68 g/mol. Its IUPAC name is 4-(1-chlorocyclopentyl)phenol.

Molecular Properties

Compound Name4-(1-chlorocyclopentyl)phenol
PubChem CID174776668
Molecular FormulaC11H13ClO
Molecular Weight196.68 g/mol
Exact Mass196.07
IUPAC Name4-(1-chlorocyclopentyl)phenol
SMILESOc1ccc(C2(Cl)CCCC2)cc1
InChIInChI=1S/C11H13ClO/c12-11(7-1-2-8-11)9-3-5-10(13)6-4-9/h3-6,13H,1-2,7-8H2
InChIKeyMKXXFVNURCWZFZ-UHFFFAOYSA-N
XLogP3.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-chlorocyclopentyl)phenol?
The IUPAC name of 4-(1-chlorocyclopentyl)phenol (CID 174776668) is 4-(1-chlorocyclopentyl)phenol.
What is the SMILES notation for 4-(1-chlorocyclopentyl)phenol?
The canonical SMILES for 4-(1-chlorocyclopentyl)phenol is Oc1ccc(C2(Cl)CCCC2)cc1.
What is the InChIKey of 4-(1-chlorocyclopentyl)phenol?
The InChIKey is MKXXFVNURCWZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO/c12-11(7-1-2-8-11)9-3-5-10(13)6-4-9/h3-6,13H,1-2,7-8H2.
What are the key properties of 4-(1-chlorocyclopentyl)phenol?
4-(1-chlorocyclopentyl)phenol has a molecular weight of 196.68 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chlorocyclopentyl)phenol is sourced from PubChem (CID 174776668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).