(3-spiro[1,3-dioxolane-2,4'-6-oxabicyclo[3.1.1]heptane]-1'-ylphenyl)methanol

C15H18O4 — CID 170028211

IUPAC(3-spiro[1,3-dioxolane-2,4'-6-oxabicyclo[3.1.1]heptane]-1'-ylphenyl)methanol
SMILESOCc1cccc(C23CCC4(OCCO4)C(C2)O3)c1
InChIInChI=1S/C15H18O4/c16-10-11-2-1-3-12(8-11)14-4-5-15(13(9-14)19-14)17-6-7-18-15/h1-3,8,13,16H,4-7,9-10H2
InChIKeyNOCKFJMSXFFXQE-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.70
Rot. Bonds2

About (3-spiro[1,3-dioxolane-2,4'-6-oxabicyclo[3.1.1]heptane]-1'-ylphenyl)methanol

(3-spiro[1,3-dioxolane-2,4'-6-oxabicyclo[3.1.1]heptane]-1'-ylphenyl)methanol (PubChem CID 170028211) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is (3-spiro[1,3-dioxolane-2,4'-6-oxabicyclo[3.1.1]heptane]-1'-ylphenyl)methanol.

Molecular Properties

Compound Name(3-spiro[1,3-dioxolane-2,4'-6-oxabicyclo[3.1.1]heptane]-1'-ylphenyl)methanol
PubChem CID170028211
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name(3-spiro[1,3-dioxolane-2,4'-6-oxabicyclo[3.1.1]heptane]-1'-ylphenyl)methanol
SMILESOCc1cccc(C23CCC4(OCCO4)C(C2)O3)c1
InChIInChI=1S/C15H18O4/c16-10-11-2-1-3-12(8-11)14-4-5-15(13(9-14)19-14)17-6-7-18-15/h1-3,8,13,16H,4-7,9-10H2
InChIKeyNOCKFJMSXFFXQE-UHFFFAOYSA-N
XLogP1.70
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-spiro[1,3-dioxolane-2,4'-6-oxabicyclo[3.1.1]heptane]-1'-ylphenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-spiro[1,3-dioxolane-2,4'-6-oxabicyclo[3.1.1]heptane]-1'-ylphenyl)methanol?
The IUPAC name of (3-spiro[1,3-dioxolane-2,4'-6-oxabicyclo[3.1.1]heptane]-1'-ylphenyl)methanol (CID 170028211) is (3-spiro[1,3-dioxolane-2,4'-6-oxabicyclo[3.1.1]heptane]-1'-ylphenyl)methanol.
What is the SMILES notation for (3-spiro[1,3-dioxolane-2,4'-6-oxabicyclo[3.1.1]heptane]-1'-ylphenyl)methanol?
The canonical SMILES for (3-spiro[1,3-dioxolane-2,4'-6-oxabicyclo[3.1.1]heptane]-1'-ylphenyl)methanol is OCc1cccc(C23CCC4(OCCO4)C(C2)O3)c1.
What is the InChIKey of (3-spiro[1,3-dioxolane-2,4'-6-oxabicyclo[3.1.1]heptane]-1'-ylphenyl)methanol?
The InChIKey is NOCKFJMSXFFXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c16-10-11-2-1-3-12(8-11)14-4-5-15(13(9-14)19-14)17-6-7-18-15/h1-3,8,13,16H,4-7,9-10H2.
What are the key properties of (3-spiro[1,3-dioxolane-2,4'-6-oxabicyclo[3.1.1]heptane]-1'-ylphenyl)methanol?
(3-spiro[1,3-dioxolane-2,4'-6-oxabicyclo[3.1.1]heptane]-1'-ylphenyl)methanol has a molecular weight of 262.31 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-spiro[1,3-dioxolane-2,4'-6-oxabicyclo[3.1.1]heptane]-1'-ylphenyl)methanol is sourced from PubChem (CID 170028211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).