trans-(1R,2R)-2-ethenyl-2-phenylcyclopentan-1-ol

C13H16O — CID 101270146

IUPACtrans-(1R,2R)-2-ethenyl-2-phenylcyclopentan-1-ol
SMILESC=C[C@@]1(c2ccccc2)CCC[C@H]1O
InChIInChI=1S/C13H16O/c1-2-13(10-6-9-12(13)14)11-7-4-3-5-8-11/h2-5,7-8,12,14H,1,6,9-10H2/t12-,13+/m1/s1
InChIKeyNKLFGIBUAFPNQB-OLZOCXBDSA-N
MW188.27 g/mol
LogP2.66
Rot. Bonds2

About trans-(1R,2R)-2-ethenyl-2-phenylcyclopentan-1-ol

trans-(1R,2R)-2-ethenyl-2-phenylcyclopentan-1-ol (PubChem CID 101270146) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is trans-(1R,2R)-2-ethenyl-2-phenylcyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-ethenyl-2-phenylcyclopentan-1-ol
PubChem CID101270146
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Nametrans-(1R,2R)-2-ethenyl-2-phenylcyclopentan-1-ol
SMILESC=C[C@@]1(c2ccccc2)CCC[C@H]1O
InChIInChI=1S/C13H16O/c1-2-13(10-6-9-12(13)14)11-7-4-3-5-8-11/h2-5,7-8,12,14H,1,6,9-10H2/t12-,13+/m1/s1
InChIKeyNKLFGIBUAFPNQB-OLZOCXBDSA-N
XLogP2.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.66
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

trans-(1S,2R)-2-(2-phenylethynyl)-2-prop-2-enylcyclopentan-1-ol
CID 101359421
2-amino-6-hydroxy-2-phenylcyclohexan-1-one
CID 166722328
cis-(1S,3S)-1-phenylcyclohexane-1,3-diol
CID 130757537
(1S)-7,7-dichloro-1-phenylbicyclo[3.2.0]heptan-6-one
CID 134891099
(3R)-2,2-diphenyloxolan-3-ol
CID 125490634
(1S,5R,6R)-1-phenylbicyclo[3.1.0]hexane-6-carboxylic acid
CID 129353718
trans-(1R,2S)-2-anilino-2-methylcyclopentan-1-ol
CID 121226832
cis-(1R,2S)-2-amino-1-phenylcyclopentan-1-ol
CID 92978161
cis-(1R,2R)-2-methyl-1-phenylcyclopentan-1-ol
CID 12611391
2-cyclohexyl-2,6-diphenylcyclohexan-1-ol
CID 130286217
1-ethenyl-4-phenylbicyclo[2.2.2]octane
CID 86123048
ethyl 3-ethenyl-1-methyl-3-phenylpyrrolidine-2-carboxylate
CID 11357399

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-ethenyl-2-phenylcyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-ethenyl-2-phenylcyclopentan-1-ol (CID 101270146) is trans-(1R,2R)-2-ethenyl-2-phenylcyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-ethenyl-2-phenylcyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-ethenyl-2-phenylcyclopentan-1-ol is C=C[C@@]1(c2ccccc2)CCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-ethenyl-2-phenylcyclopentan-1-ol?
The InChIKey is NKLFGIBUAFPNQB-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H16O/c1-2-13(10-6-9-12(13)14)11-7-4-3-5-8-11/h2-5,7-8,12,14H,1,6,9-10H2/t12-,13+/m1/s1.
What are the key properties of trans-(1R,2R)-2-ethenyl-2-phenylcyclopentan-1-ol?
trans-(1R,2R)-2-ethenyl-2-phenylcyclopentan-1-ol has a molecular weight of 188.27 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-ethenyl-2-phenylcyclopentan-1-ol is sourced from PubChem (CID 101270146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).