(1S,4R)-2-phenylbicyclo[2.2.1]heptane

C13H16 — CID 10965003

IUPAC(1S,4R)-2-phenylbicyclo[2.2.1]heptane
SMILESc1ccc(C2C[C@@H]3CC[C@H]2C3)cc1
InChIInChI=1S/C13H16/c1-2-4-11(5-3-1)13-9-10-6-7-12(13)8-10/h1-5,10,12-13H,6-9H2/t10-,12+,13?/m1/s1
InChIKeyFPSNRVOJKUSUFQ-FVBASEICSA-N
MW172.27 g/mol
LogP3.59
Rot. Bonds1

About (1S,4R)-2-phenylbicyclo[2.2.1]heptane

(1S,4R)-2-phenylbicyclo[2.2.1]heptane (PubChem CID 10965003) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is (1S,4R)-2-phenylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1S,4R)-2-phenylbicyclo[2.2.1]heptane
PubChem CID10965003
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name(1S,4R)-2-phenylbicyclo[2.2.1]heptane
SMILESc1ccc(C2C[C@@H]3CC[C@H]2C3)cc1
InChIInChI=1S/C13H16/c1-2-4-11(5-3-1)13-9-10-6-7-12(13)8-10/h1-5,10,12-13H,6-9H2/t10-,12+,13?/m1/s1
InChIKeyFPSNRVOJKUSUFQ-FVBASEICSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1S,4R)-2-phenylbicyclo[2.2.1]heptane?
The IUPAC name of (1S,4R)-2-phenylbicyclo[2.2.1]heptane (CID 10965003) is (1S,4R)-2-phenylbicyclo[2.2.1]heptane.
What is the SMILES notation for (1S,4R)-2-phenylbicyclo[2.2.1]heptane?
The canonical SMILES for (1S,4R)-2-phenylbicyclo[2.2.1]heptane is c1ccc(C2C[C@@H]3CC[C@H]2C3)cc1.
What is the InChIKey of (1S,4R)-2-phenylbicyclo[2.2.1]heptane?
The InChIKey is FPSNRVOJKUSUFQ-FVBASEICSA-N. The full InChI is InChI=1S/C13H16/c1-2-4-11(5-3-1)13-9-10-6-7-12(13)8-10/h1-5,10,12-13H,6-9H2/t10-,12+,13?/m1/s1.
What are the key properties of (1S,4R)-2-phenylbicyclo[2.2.1]heptane?
(1S,4R)-2-phenylbicyclo[2.2.1]heptane has a molecular weight of 172.27 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-2-phenylbicyclo[2.2.1]heptane is sourced from PubChem (CID 10965003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).