(1R,2R,4R,5R)-1,2-diphenyltricyclo[3.1.0.02,4]hexane

C18H16 — CID 139089699

IUPAC(1R,2R,4R,5R)-1,2-diphenyltricyclo[3.1.0.02,4]hexane
SMILESc1ccc([C@@]23C[C@@H]2[C@H]2C[C@]23c2ccccc2)cc1
InChIInChI=1S/C18H16/c1-3-7-13(8-4-1)17-11-15(17)16-12-18(16,17)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2/t15-,16-,17+,18+/m1/s1
InChIKeyWVCJJZUUPYLMLJ-BDXSIMOUSA-N
MW232.33 g/mol
LogP3.92
Rot. Bonds2

About (1R,2R,4R,5R)-1,2-diphenyltricyclo[3.1.0.02,4]hexane

(1R,2R,4R,5R)-1,2-diphenyltricyclo[3.1.0.02,4]hexane (PubChem CID 139089699) has the molecular formula C18H16 and a molecular weight of 232.33 g/mol. Its IUPAC name is (1R,2R,4R,5R)-1,2-diphenyltricyclo[3.1.0.02,4]hexane.

Molecular Properties

Compound Name(1R,2R,4R,5R)-1,2-diphenyltricyclo[3.1.0.02,4]hexane
PubChem CID139089699
Molecular FormulaC18H16
Molecular Weight232.33 g/mol
Exact Mass232.13
IUPAC Name(1R,2R,4R,5R)-1,2-diphenyltricyclo[3.1.0.02,4]hexane
SMILESc1ccc([C@@]23C[C@@H]2[C@H]2C[C@]23c2ccccc2)cc1
InChIInChI=1S/C18H16/c1-3-7-13(8-4-1)17-11-15(17)16-12-18(16,17)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2/t15-,16-,17+,18+/m1/s1
InChIKeyWVCJJZUUPYLMLJ-BDXSIMOUSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R,5R)-1,2-diphenyltricyclo[3.1.0.02,4]hexane?
The IUPAC name of (1R,2R,4R,5R)-1,2-diphenyltricyclo[3.1.0.02,4]hexane (CID 139089699) is (1R,2R,4R,5R)-1,2-diphenyltricyclo[3.1.0.02,4]hexane.
What is the SMILES notation for (1R,2R,4R,5R)-1,2-diphenyltricyclo[3.1.0.02,4]hexane?
The canonical SMILES for (1R,2R,4R,5R)-1,2-diphenyltricyclo[3.1.0.02,4]hexane is c1ccc([C@@]23C[C@@H]2[C@H]2C[C@]23c2ccccc2)cc1.
What is the InChIKey of (1R,2R,4R,5R)-1,2-diphenyltricyclo[3.1.0.02,4]hexane?
The InChIKey is WVCJJZUUPYLMLJ-BDXSIMOUSA-N. The full InChI is InChI=1S/C18H16/c1-3-7-13(8-4-1)17-11-15(17)16-12-18(16,17)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2/t15-,16-,17+,18+/m1/s1.
What are the key properties of (1R,2R,4R,5R)-1,2-diphenyltricyclo[3.1.0.02,4]hexane?
(1R,2R,4R,5R)-1,2-diphenyltricyclo[3.1.0.02,4]hexane has a molecular weight of 232.33 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R,5R)-1,2-diphenyltricyclo[3.1.0.02,4]hexane is sourced from PubChem (CID 139089699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).