3-chloro-4-cyclobutyloxy-5-propan-2-ylphenol

C13H17ClO2 — CID 176855083

IUPAC3-chloro-4-cyclobutyloxy-5-propan-2-ylphenol
SMILESCC(C)c1cc(O)cc(Cl)c1OC1CCC1
InChIInChI=1S/C13H17ClO2/c1-8(2)11-6-9(15)7-12(14)13(11)16-10-4-3-5-10/h6-8,10,15H,3-5H2,1-2H3
InChIKeyCNPKYVLJFPFXOL-UHFFFAOYSA-N
MW240.73 g/mol
LogP4.10
Rot. Bonds3

About 3-chloro-4-cyclobutyloxy-5-propan-2-ylphenol

3-chloro-4-cyclobutyloxy-5-propan-2-ylphenol (PubChem CID 176855083) has the molecular formula C13H17ClO2 and a molecular weight of 240.73 g/mol. Its IUPAC name is 3-chloro-4-cyclobutyloxy-5-propan-2-ylphenol.

Molecular Properties

Compound Name3-chloro-4-cyclobutyloxy-5-propan-2-ylphenol
PubChem CID176855083
Molecular FormulaC13H17ClO2
Molecular Weight240.73 g/mol
Exact Mass240.09
IUPAC Name3-chloro-4-cyclobutyloxy-5-propan-2-ylphenol
SMILESCC(C)c1cc(O)cc(Cl)c1OC1CCC1
InChIInChI=1S/C13H17ClO2/c1-8(2)11-6-9(15)7-12(14)13(11)16-10-4-3-5-10/h6-8,10,15H,3-5H2,1-2H3
InChIKeyCNPKYVLJFPFXOL-UHFFFAOYSA-N
XLogP4.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-cyclobutyloxy-5-propan-2-ylphenol?
The IUPAC name of 3-chloro-4-cyclobutyloxy-5-propan-2-ylphenol (CID 176855083) is 3-chloro-4-cyclobutyloxy-5-propan-2-ylphenol.
What is the SMILES notation for 3-chloro-4-cyclobutyloxy-5-propan-2-ylphenol?
The canonical SMILES for 3-chloro-4-cyclobutyloxy-5-propan-2-ylphenol is CC(C)c1cc(O)cc(Cl)c1OC1CCC1.
What is the InChIKey of 3-chloro-4-cyclobutyloxy-5-propan-2-ylphenol?
The InChIKey is CNPKYVLJFPFXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO2/c1-8(2)11-6-9(15)7-12(14)13(11)16-10-4-3-5-10/h6-8,10,15H,3-5H2,1-2H3.
What are the key properties of 3-chloro-4-cyclobutyloxy-5-propan-2-ylphenol?
3-chloro-4-cyclobutyloxy-5-propan-2-ylphenol has a molecular weight of 240.73 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-cyclobutyloxy-5-propan-2-ylphenol is sourced from PubChem (CID 176855083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).