(1S,5R)-3-(phenoxymethyl)bicyclo[3.2.1]octane

C15H20O — CID 70660865

IUPAC(1S,5R)-3-(phenoxymethyl)bicyclo[3.2.1]octane
SMILESc1ccc(OCC2C[C@H]3CC[C@@H](C2)C3)cc1
InChIInChI=1S/C15H20O/c1-2-4-15(5-3-1)16-11-14-9-12-6-7-13(8-12)10-14/h1-5,12-14H,6-11H2/t12-,13+,14?
InChIKeyCEHYUWNBAJTEHH-PBWFPOADSA-N
MW216.32 g/mol
LogP3.89
Rot. Bonds3

About (1S,5R)-3-(phenoxymethyl)bicyclo[3.2.1]octane

(1S,5R)-3-(phenoxymethyl)bicyclo[3.2.1]octane (PubChem CID 70660865) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is (1S,5R)-3-(phenoxymethyl)bicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R)-3-(phenoxymethyl)bicyclo[3.2.1]octane
PubChem CID70660865
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name(1S,5R)-3-(phenoxymethyl)bicyclo[3.2.1]octane
SMILESc1ccc(OCC2C[C@H]3CC[C@@H](C2)C3)cc1
InChIInChI=1S/C15H20O/c1-2-4-15(5-3-1)16-11-14-9-12-6-7-13(8-12)10-14/h1-5,12-14H,6-11H2/t12-,13+,14?
InChIKeyCEHYUWNBAJTEHH-PBWFPOADSA-N
XLogP3.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-(phenoxymethyl)bicyclo[3.2.1]octane?
The IUPAC name of (1S,5R)-3-(phenoxymethyl)bicyclo[3.2.1]octane (CID 70660865) is (1S,5R)-3-(phenoxymethyl)bicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R)-3-(phenoxymethyl)bicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R)-3-(phenoxymethyl)bicyclo[3.2.1]octane is c1ccc(OCC2C[C@H]3CC[C@@H](C2)C3)cc1.
What is the InChIKey of (1S,5R)-3-(phenoxymethyl)bicyclo[3.2.1]octane?
The InChIKey is CEHYUWNBAJTEHH-PBWFPOADSA-N. The full InChI is InChI=1S/C15H20O/c1-2-4-15(5-3-1)16-11-14-9-12-6-7-13(8-12)10-14/h1-5,12-14H,6-11H2/t12-,13+,14?.
What are the key properties of (1S,5R)-3-(phenoxymethyl)bicyclo[3.2.1]octane?
(1S,5R)-3-(phenoxymethyl)bicyclo[3.2.1]octane has a molecular weight of 216.32 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-(phenoxymethyl)bicyclo[3.2.1]octane is sourced from PubChem (CID 70660865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).