5-(1-propylcyclobutyl)benzene-1,3-diol

C13H18O2 — CID 123465325

IUPAC5-(1-propylcyclobutyl)benzene-1,3-diol
SMILESCCCC1(c2cc(O)cc(O)c2)CCC1
InChIInChI=1S/C13H18O2/c1-2-4-13(5-3-6-13)10-7-11(14)9-12(15)8-10/h7-9,14-15H,2-6H2,1H3
InChIKeyXIIRGULNLBIQCC-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.32
Rot. Bonds3

About 5-(1-propylcyclobutyl)benzene-1,3-diol

5-(1-propylcyclobutyl)benzene-1,3-diol (PubChem CID 123465325) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 5-(1-propylcyclobutyl)benzene-1,3-diol.

Molecular Properties

Compound Name5-(1-propylcyclobutyl)benzene-1,3-diol
PubChem CID123465325
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name5-(1-propylcyclobutyl)benzene-1,3-diol
SMILESCCCC1(c2cc(O)cc(O)c2)CCC1
InChIInChI=1S/C13H18O2/c1-2-4-13(5-3-6-13)10-7-11(14)9-12(15)8-10/h7-9,14-15H,2-6H2,1H3
InChIKeyXIIRGULNLBIQCC-UHFFFAOYSA-N
XLogP3.32
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-propylcyclobutyl)benzene-1,3-diol?
The IUPAC name of 5-(1-propylcyclobutyl)benzene-1,3-diol (CID 123465325) is 5-(1-propylcyclobutyl)benzene-1,3-diol.
What is the SMILES notation for 5-(1-propylcyclobutyl)benzene-1,3-diol?
The canonical SMILES for 5-(1-propylcyclobutyl)benzene-1,3-diol is CCCC1(c2cc(O)cc(O)c2)CCC1.
What is the InChIKey of 5-(1-propylcyclobutyl)benzene-1,3-diol?
The InChIKey is XIIRGULNLBIQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-2-4-13(5-3-6-13)10-7-11(14)9-12(15)8-10/h7-9,14-15H,2-6H2,1H3.
What are the key properties of 5-(1-propylcyclobutyl)benzene-1,3-diol?
5-(1-propylcyclobutyl)benzene-1,3-diol has a molecular weight of 206.28 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-propylcyclobutyl)benzene-1,3-diol is sourced from PubChem (CID 123465325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).