7-oxabicyclo[2.2.1]heptan-2-yl-(4-phenylphenyl)methanol

C19H20O2 — CID 65455513

IUPAC7-oxabicyclo[2.2.1]heptan-2-yl-(4-phenylphenyl)methanol
SMILESOC(c1ccc(-c2ccccc2)cc1)C1CC2CCC1O2
InChIInChI=1S/C19H20O2/c20-19(17-12-16-10-11-18(17)21-16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16-20H,10-12H2
InChIKeyPMHPTDSZSONFHS-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.95
Rot. Bonds3

About 7-oxabicyclo[2.2.1]heptan-2-yl-(4-phenylphenyl)methanol

7-oxabicyclo[2.2.1]heptan-2-yl-(4-phenylphenyl)methanol (PubChem CID 65455513) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 7-oxabicyclo[2.2.1]heptan-2-yl-(4-phenylphenyl)methanol.

Molecular Properties

Compound Name7-oxabicyclo[2.2.1]heptan-2-yl-(4-phenylphenyl)methanol
PubChem CID65455513
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name7-oxabicyclo[2.2.1]heptan-2-yl-(4-phenylphenyl)methanol
SMILESOC(c1ccc(-c2ccccc2)cc1)C1CC2CCC1O2
InChIInChI=1S/C19H20O2/c20-19(17-12-16-10-11-18(17)21-16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16-20H,10-12H2
InChIKeyPMHPTDSZSONFHS-UHFFFAOYSA-N
XLogP3.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-oxabicyclo[2.2.1]heptan-2-yl-(4-phenylphenyl)methanol?
The IUPAC name of 7-oxabicyclo[2.2.1]heptan-2-yl-(4-phenylphenyl)methanol (CID 65455513) is 7-oxabicyclo[2.2.1]heptan-2-yl-(4-phenylphenyl)methanol.
What is the SMILES notation for 7-oxabicyclo[2.2.1]heptan-2-yl-(4-phenylphenyl)methanol?
The canonical SMILES for 7-oxabicyclo[2.2.1]heptan-2-yl-(4-phenylphenyl)methanol is OC(c1ccc(-c2ccccc2)cc1)C1CC2CCC1O2.
What is the InChIKey of 7-oxabicyclo[2.2.1]heptan-2-yl-(4-phenylphenyl)methanol?
The InChIKey is PMHPTDSZSONFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c20-19(17-12-16-10-11-18(17)21-16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16-20H,10-12H2.
What are the key properties of 7-oxabicyclo[2.2.1]heptan-2-yl-(4-phenylphenyl)methanol?
7-oxabicyclo[2.2.1]heptan-2-yl-(4-phenylphenyl)methanol has a molecular weight of 280.37 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxabicyclo[2.2.1]heptan-2-yl-(4-phenylphenyl)methanol is sourced from PubChem (CID 65455513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).