(4S)-2-ethenylidene-4-phenylcyclopentan-1-ol

C13H14O — CID 100975405

IUPAC(4S)-2-ethenylidene-4-phenylcyclopentan-1-ol
SMILESC=C=C1C[C@H](c2ccccc2)CC1O
InChIInChI=1S/C13H14O/c1-2-10-8-12(9-13(10)14)11-6-4-3-5-7-11/h3-7,12-14H,1,8-9H2/t12-,13?/m0/s1
InChIKeyXVNIAYOTNQEZQH-UEWDXFNNSA-N
MW186.25 g/mol
LogP2.64
Rot. Bonds1

About (4S)-2-ethenylidene-4-phenylcyclopentan-1-ol

(4S)-2-ethenylidene-4-phenylcyclopentan-1-ol (PubChem CID 100975405) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is (4S)-2-ethenylidene-4-phenylcyclopentan-1-ol.

Molecular Properties

Compound Name(4S)-2-ethenylidene-4-phenylcyclopentan-1-ol
PubChem CID100975405
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name(4S)-2-ethenylidene-4-phenylcyclopentan-1-ol
SMILESC=C=C1C[C@H](c2ccccc2)CC1O
InChIInChI=1S/C13H14O/c1-2-10-8-12(9-13(10)14)11-6-4-3-5-7-11/h3-7,12-14H,1,8-9H2/t12-,13?/m0/s1
InChIKeyXVNIAYOTNQEZQH-UEWDXFNNSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-ethenylidene-4-phenylcyclopentan-1-ol?
The IUPAC name of (4S)-2-ethenylidene-4-phenylcyclopentan-1-ol (CID 100975405) is (4S)-2-ethenylidene-4-phenylcyclopentan-1-ol.
What is the SMILES notation for (4S)-2-ethenylidene-4-phenylcyclopentan-1-ol?
The canonical SMILES for (4S)-2-ethenylidene-4-phenylcyclopentan-1-ol is C=C=C1C[C@H](c2ccccc2)CC1O.
What is the InChIKey of (4S)-2-ethenylidene-4-phenylcyclopentan-1-ol?
The InChIKey is XVNIAYOTNQEZQH-UEWDXFNNSA-N. The full InChI is InChI=1S/C13H14O/c1-2-10-8-12(9-13(10)14)11-6-4-3-5-7-11/h3-7,12-14H,1,8-9H2/t12-,13?/m0/s1.
What are the key properties of (4S)-2-ethenylidene-4-phenylcyclopentan-1-ol?
(4S)-2-ethenylidene-4-phenylcyclopentan-1-ol has a molecular weight of 186.25 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-ethenylidene-4-phenylcyclopentan-1-ol is sourced from PubChem (CID 100975405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).