cis-(1R,2S)-3-methylidene-2-phenylcyclopentan-1-ol

C12H14O — CID 10942959

IUPACcis-(1R,2S)-3-methylidene-2-phenylcyclopentan-1-ol
SMILESC=C1CC[C@@H](O)[C@@H]1c1ccccc1
InChIInChI=1S/C12H14O/c1-9-7-8-11(13)12(9)10-5-3-2-4-6-10/h2-6,11-13H,1,7-8H2/t11-,12+/m1/s1
InChIKeyKYSXECYCIGXXRX-NEPJUHHUSA-N
MW174.24 g/mol
LogP2.48
Rot. Bonds1

About cis-(1R,2S)-3-methylidene-2-phenylcyclopentan-1-ol

cis-(1R,2S)-3-methylidene-2-phenylcyclopentan-1-ol (PubChem CID 10942959) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is cis-(1R,2S)-3-methylidene-2-phenylcyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-3-methylidene-2-phenylcyclopentan-1-ol
PubChem CID10942959
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Namecis-(1R,2S)-3-methylidene-2-phenylcyclopentan-1-ol
SMILESC=C1CC[C@@H](O)[C@@H]1c1ccccc1
InChIInChI=1S/C12H14O/c1-9-7-8-11(13)12(9)10-5-3-2-4-6-10/h2-6,11-13H,1,7-8H2/t11-,12+/m1/s1
InChIKeyKYSXECYCIGXXRX-NEPJUHHUSA-N
XLogP2.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-3-methylidene-2-phenylcyclopentan-1-ol?
The IUPAC name of cis-(1R,2S)-3-methylidene-2-phenylcyclopentan-1-ol (CID 10942959) is cis-(1R,2S)-3-methylidene-2-phenylcyclopentan-1-ol.
What is the SMILES notation for cis-(1R,2S)-3-methylidene-2-phenylcyclopentan-1-ol?
The canonical SMILES for cis-(1R,2S)-3-methylidene-2-phenylcyclopentan-1-ol is C=C1CC[C@@H](O)[C@@H]1c1ccccc1.
What is the InChIKey of cis-(1R,2S)-3-methylidene-2-phenylcyclopentan-1-ol?
The InChIKey is KYSXECYCIGXXRX-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H14O/c1-9-7-8-11(13)12(9)10-5-3-2-4-6-10/h2-6,11-13H,1,7-8H2/t11-,12+/m1/s1.
What are the key properties of cis-(1R,2S)-3-methylidene-2-phenylcyclopentan-1-ol?
cis-(1R,2S)-3-methylidene-2-phenylcyclopentan-1-ol has a molecular weight of 174.24 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-3-methylidene-2-phenylcyclopentan-1-ol is sourced from PubChem (CID 10942959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).