(1R,2R,4S)-2-phenylbicyclo[2.2.1]hept-5-en-2-ol

C13H14O — CID 98523856

IUPAC(1R,2R,4S)-2-phenylbicyclo[2.2.1]hept-5-en-2-ol
SMILESO[C@]1(c2ccccc2)C[C@H]2C=C[C@H]1C2
InChIInChI=1S/C13H14O/c14-13(11-4-2-1-3-5-11)9-10-6-7-12(13)8-10/h1-7,10,12,14H,8-9H2/t10-,12-,13-/m0/s1
InChIKeyFKVIKTMLTIPULX-DRZSPHRISA-N
MW186.25 g/mol
LogP2.47
Rot. Bonds1

About (1R,2R,4S)-2-phenylbicyclo[2.2.1]hept-5-en-2-ol

(1R,2R,4S)-2-phenylbicyclo[2.2.1]hept-5-en-2-ol (PubChem CID 98523856) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is (1R,2R,4S)-2-phenylbicyclo[2.2.1]hept-5-en-2-ol.

Molecular Properties

Compound Name(1R,2R,4S)-2-phenylbicyclo[2.2.1]hept-5-en-2-ol
PubChem CID98523856
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name(1R,2R,4S)-2-phenylbicyclo[2.2.1]hept-5-en-2-ol
SMILESO[C@]1(c2ccccc2)C[C@H]2C=C[C@H]1C2
InChIInChI=1S/C13H14O/c14-13(11-4-2-1-3-5-11)9-10-6-7-12(13)8-10/h1-7,10,12,14H,8-9H2/t10-,12-,13-/m0/s1
InChIKeyFKVIKTMLTIPULX-DRZSPHRISA-N
XLogP2.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,2S,4R,5S)-2,5-diphenylbicyclo[2.2.1]heptane-2,5-diol
CID 124803011
cis-(1R,2R)-1,2-diphenylcyclopropan-1-ol
CID 165358316
(1S,2S,4S,5S)-2,5-diphenylbicyclo[2.2.2]octane-2,5-diol
CID 102394806
ethyl (1R,2S,4R)-2-phenylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 93483976
(1R,2S,4R)-2-phenylbicyclo[2.2.1]heptan-2-ol
CID 98544518
(1R,2R,4R,5R,6S,8R)-2,4,6,8-tetraphenylbicyclo[3.3.1]nonane-2,6-diol
CID 95931344
(1R,5R)-6-phenylbicyclo[3.2.0]heptan-6-ol
CID 135044945
(1S,2S,3S)-2,3-bis(hydroxymethyl)-1-phenylcyclobutan-1-ol
CID 10560294
spiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]
CID 173049305
5-(2-chlorophenyl)-5-methylbicyclo[2.2.1]hept-2-ene
CID 67140175
2-aminobicyclo[2.2.1]hept-5-en-2-ol
CID 89311191
2-phenylbicyclo[2.2.1]heptane-2,5-diol
CID 59556115

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-2-phenylbicyclo[2.2.1]hept-5-en-2-ol?
The IUPAC name of (1R,2R,4S)-2-phenylbicyclo[2.2.1]hept-5-en-2-ol (CID 98523856) is (1R,2R,4S)-2-phenylbicyclo[2.2.1]hept-5-en-2-ol.
What is the SMILES notation for (1R,2R,4S)-2-phenylbicyclo[2.2.1]hept-5-en-2-ol?
The canonical SMILES for (1R,2R,4S)-2-phenylbicyclo[2.2.1]hept-5-en-2-ol is O[C@]1(c2ccccc2)C[C@H]2C=C[C@H]1C2.
What is the InChIKey of (1R,2R,4S)-2-phenylbicyclo[2.2.1]hept-5-en-2-ol?
The InChIKey is FKVIKTMLTIPULX-DRZSPHRISA-N. The full InChI is InChI=1S/C13H14O/c14-13(11-4-2-1-3-5-11)9-10-6-7-12(13)8-10/h1-7,10,12,14H,8-9H2/t10-,12-,13-/m0/s1.
What are the key properties of (1R,2R,4S)-2-phenylbicyclo[2.2.1]hept-5-en-2-ol?
(1R,2R,4S)-2-phenylbicyclo[2.2.1]hept-5-en-2-ol has a molecular weight of 186.25 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-2-phenylbicyclo[2.2.1]hept-5-en-2-ol is sourced from PubChem (CID 98523856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).