(1R,5R)-6-phenylbicyclo[3.2.0]heptan-6-ol

C13H16O — CID 135044945

IUPAC(1R,5R)-6-phenylbicyclo[3.2.0]heptan-6-ol
SMILESOC1(c2ccccc2)C[C@H]2CCC[C@H]21
InChIInChI=1S/C13H16O/c14-13(11-6-2-1-3-7-11)9-10-5-4-8-12(10)13/h1-3,6-7,10,12,14H,4-5,8-9H2/t10-,12-,13?/m1/s1
InChIKeyHPBGWMMJDLLKRV-HLVWMGJTSA-N
MW188.27 g/mol
LogP2.69
Rot. Bonds1

About (1R,5R)-6-phenylbicyclo[3.2.0]heptan-6-ol

(1R,5R)-6-phenylbicyclo[3.2.0]heptan-6-ol (PubChem CID 135044945) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is (1R,5R)-6-phenylbicyclo[3.2.0]heptan-6-ol.

Molecular Properties

Compound Name(1R,5R)-6-phenylbicyclo[3.2.0]heptan-6-ol
PubChem CID135044945
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name(1R,5R)-6-phenylbicyclo[3.2.0]heptan-6-ol
SMILESOC1(c2ccccc2)C[C@H]2CCC[C@H]21
InChIInChI=1S/C13H16O/c14-13(11-6-2-1-3-7-11)9-10-5-4-8-12(10)13/h1-3,6-7,10,12,14H,4-5,8-9H2/t10-,12-,13?/m1/s1
InChIKeyHPBGWMMJDLLKRV-HLVWMGJTSA-N
XLogP2.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,5R)-6-phenylbicyclo[3.2.0]heptan-6-ol?
The IUPAC name of (1R,5R)-6-phenylbicyclo[3.2.0]heptan-6-ol (CID 135044945) is (1R,5R)-6-phenylbicyclo[3.2.0]heptan-6-ol.
What is the SMILES notation for (1R,5R)-6-phenylbicyclo[3.2.0]heptan-6-ol?
The canonical SMILES for (1R,5R)-6-phenylbicyclo[3.2.0]heptan-6-ol is OC1(c2ccccc2)C[C@H]2CCC[C@H]21.
What is the InChIKey of (1R,5R)-6-phenylbicyclo[3.2.0]heptan-6-ol?
The InChIKey is HPBGWMMJDLLKRV-HLVWMGJTSA-N. The full InChI is InChI=1S/C13H16O/c14-13(11-6-2-1-3-7-11)9-10-5-4-8-12(10)13/h1-3,6-7,10,12,14H,4-5,8-9H2/t10-,12-,13?/m1/s1.
What are the key properties of (1R,5R)-6-phenylbicyclo[3.2.0]heptan-6-ol?
(1R,5R)-6-phenylbicyclo[3.2.0]heptan-6-ol has a molecular weight of 188.27 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-6-phenylbicyclo[3.2.0]heptan-6-ol is sourced from PubChem (CID 135044945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).