(1R,2R,3R,4S)-3-phenylbicyclo[2.2.1]heptan-2-ol

C13H16O — CID 131123237

IUPAC(1R,2R,3R,4S)-3-phenylbicyclo[2.2.1]heptan-2-ol
SMILESO[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1
InChIInChI=1S/C13H16O/c14-13-11-7-6-10(8-11)12(13)9-4-2-1-3-5-9/h1-5,10-14H,6-8H2/t10-,11+,12-,13+/m0/s1
InChIKeyRKCIOYZCGIKUEY-QNWHQSFQSA-N
MW188.27 g/mol
LogP2.56
Rot. Bonds1

About (1R,2R,3R,4S)-3-phenylbicyclo[2.2.1]heptan-2-ol

(1R,2R,3R,4S)-3-phenylbicyclo[2.2.1]heptan-2-ol (PubChem CID 131123237) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is (1R,2R,3R,4S)-3-phenylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1R,2R,3R,4S)-3-phenylbicyclo[2.2.1]heptan-2-ol
PubChem CID131123237
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name(1R,2R,3R,4S)-3-phenylbicyclo[2.2.1]heptan-2-ol
SMILESO[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1
InChIInChI=1S/C13H16O/c14-13-11-7-6-10(8-11)12(13)9-4-2-1-3-5-9/h1-5,10-14H,6-8H2/t10-,11+,12-,13+/m0/s1
InChIKeyRKCIOYZCGIKUEY-QNWHQSFQSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,4S)-3-phenylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1R,2R,3R,4S)-3-phenylbicyclo[2.2.1]heptan-2-ol (CID 131123237) is (1R,2R,3R,4S)-3-phenylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1R,2R,3R,4S)-3-phenylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1R,2R,3R,4S)-3-phenylbicyclo[2.2.1]heptan-2-ol is O[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1.
What is the InChIKey of (1R,2R,3R,4S)-3-phenylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is RKCIOYZCGIKUEY-QNWHQSFQSA-N. The full InChI is InChI=1S/C13H16O/c14-13-11-7-6-10(8-11)12(13)9-4-2-1-3-5-9/h1-5,10-14H,6-8H2/t10-,11+,12-,13+/m0/s1.
What are the key properties of (1R,2R,3R,4S)-3-phenylbicyclo[2.2.1]heptan-2-ol?
(1R,2R,3R,4S)-3-phenylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 188.27 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,4S)-3-phenylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 131123237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).