(1S,2S,4R,7R)-2-phenylbicyclo[2.2.1]heptan-7-ol

C13H16O — CID 102585788

IUPAC(1S,2S,4R,7R)-2-phenylbicyclo[2.2.1]heptan-7-ol
SMILESO[C@@H]1[C@@H]2CC[C@H]1[C@@H](c1ccccc1)C2
InChIInChI=1S/C13H16O/c14-13-10-6-7-11(13)12(8-10)9-4-2-1-3-5-9/h1-5,10-14H,6-8H2/t10-,11+,12-,13-/m1/s1
InChIKeyQJNLXTBIQCURMI-YVECIDJPSA-N
MW188.27 g/mol
LogP2.56
Rot. Bonds1

About (1S,2S,4R,7R)-2-phenylbicyclo[2.2.1]heptan-7-ol

(1S,2S,4R,7R)-2-phenylbicyclo[2.2.1]heptan-7-ol (PubChem CID 102585788) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is (1S,2S,4R,7R)-2-phenylbicyclo[2.2.1]heptan-7-ol.

Molecular Properties

Compound Name(1S,2S,4R,7R)-2-phenylbicyclo[2.2.1]heptan-7-ol
PubChem CID102585788
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name(1S,2S,4R,7R)-2-phenylbicyclo[2.2.1]heptan-7-ol
SMILESO[C@@H]1[C@@H]2CC[C@H]1[C@@H](c1ccccc1)C2
InChIInChI=1S/C13H16O/c14-13-10-6-7-11(13)12(8-10)9-4-2-1-3-5-9/h1-5,10-14H,6-8H2/t10-,11+,12-,13-/m1/s1
InChIKeyQJNLXTBIQCURMI-YVECIDJPSA-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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Related Compounds

(1S,2S,4R,7S)-2-(4-methylphenyl)bicyclo[2.2.1]heptan-7-ol
CID 10703299
(1R,2R,3R,4S)-3-phenylbicyclo[2.2.1]heptan-2-ol
CID 131123237
6-phenyl-3-oxabicyclo[3.2.0]heptane
CID 73299099
(1R,2R,3S,6S)-3,6-diphenylcyclohexane-1,2-diol
CID 124792855
(1R,2R,3R,6S)-3,6-diphenylcyclohexane-1,2-diol
CID 98598015
(1S,6R)-6-phenyl-3-azabicyclo[3.2.0]heptane
CID 90760686
(1S,4R)-2-phenylbicyclo[2.2.1]heptane
CID 10965003
cis-(2R,4S)-4-cyclohexyl-1-deuterio-2-phenylcyclopentan-1-ol
CID 134902369
2-(2-phenylcyclobutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 167120047
2-phenyl-1,2,3,3a,4,5,6,6a-octahydropentalen-1-amine
CID 167142843
[(1S,2S)-2-[(1R,2S)-2-phenylcyclopropyl]cyclopropyl]methanol
CID 11137881
3,5-diphenylthiolan-2-ol
CID 144931057

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R,7R)-2-phenylbicyclo[2.2.1]heptan-7-ol?
The IUPAC name of (1S,2S,4R,7R)-2-phenylbicyclo[2.2.1]heptan-7-ol (CID 102585788) is (1S,2S,4R,7R)-2-phenylbicyclo[2.2.1]heptan-7-ol.
What is the SMILES notation for (1S,2S,4R,7R)-2-phenylbicyclo[2.2.1]heptan-7-ol?
The canonical SMILES for (1S,2S,4R,7R)-2-phenylbicyclo[2.2.1]heptan-7-ol is O[C@@H]1[C@@H]2CC[C@H]1[C@@H](c1ccccc1)C2.
What is the InChIKey of (1S,2S,4R,7R)-2-phenylbicyclo[2.2.1]heptan-7-ol?
The InChIKey is QJNLXTBIQCURMI-YVECIDJPSA-N. The full InChI is InChI=1S/C13H16O/c14-13-10-6-7-11(13)12(8-10)9-4-2-1-3-5-9/h1-5,10-14H,6-8H2/t10-,11+,12-,13-/m1/s1.
What are the key properties of (1S,2S,4R,7R)-2-phenylbicyclo[2.2.1]heptan-7-ol?
(1S,2S,4R,7R)-2-phenylbicyclo[2.2.1]heptan-7-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 (1S,2S,4R,7R)-2-phenylbicyclo[2.2.1]heptan-7-ol is sourced from PubChem (CID 102585788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).