6-(4-phenylphenoxy)bicyclo[2.2.1]heptan-2-ol

C19H20O2 — CID 173215312

IUPAC6-(4-phenylphenoxy)bicyclo[2.2.1]heptan-2-ol
SMILESOC1CC2CC(Oc3ccc(-c4ccccc4)cc3)C1C2
InChIInChI=1S/C19H20O2/c20-18-11-13-10-17(18)19(12-13)21-16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,13,17-20H,10-12H2
InChIKeyGPHBRBRCCSZSJB-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.89
Rot. Bonds3

About 6-(4-phenylphenoxy)bicyclo[2.2.1]heptan-2-ol

6-(4-phenylphenoxy)bicyclo[2.2.1]heptan-2-ol (PubChem CID 173215312) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 6-(4-phenylphenoxy)bicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name6-(4-phenylphenoxy)bicyclo[2.2.1]heptan-2-ol
PubChem CID173215312
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name6-(4-phenylphenoxy)bicyclo[2.2.1]heptan-2-ol
SMILESOC1CC2CC(Oc3ccc(-c4ccccc4)cc3)C1C2
InChIInChI=1S/C19H20O2/c20-18-11-13-10-17(18)19(12-13)21-16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,13,17-20H,10-12H2
InChIKeyGPHBRBRCCSZSJB-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylphenoxy)bicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 6-(4-phenylphenoxy)bicyclo[2.2.1]heptan-2-ol (CID 173215312) is 6-(4-phenylphenoxy)bicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 6-(4-phenylphenoxy)bicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 6-(4-phenylphenoxy)bicyclo[2.2.1]heptan-2-ol is OC1CC2CC(Oc3ccc(-c4ccccc4)cc3)C1C2.
What is the InChIKey of 6-(4-phenylphenoxy)bicyclo[2.2.1]heptan-2-ol?
The InChIKey is GPHBRBRCCSZSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c20-18-11-13-10-17(18)19(12-13)21-16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,13,17-20H,10-12H2.
What are the key properties of 6-(4-phenylphenoxy)bicyclo[2.2.1]heptan-2-ol?
6-(4-phenylphenoxy)bicyclo[2.2.1]heptan-2-ol has a molecular weight of 280.37 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylphenoxy)bicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 173215312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).