(2S)-2-[(E)-5-phenylpent-2-en-2-yl]-2,5-dihydrofuran

C15H18O — CID 135041409

IUPAC(2S)-2-[(E)-5-phenylpent-2-en-2-yl]-2,5-dihydrofuran
SMILESC/C(=C\CCc1ccccc1)[C@@H]1C=CCO1
InChIInChI=1S/C15H18O/c1-13(15-11-6-12-16-15)7-5-10-14-8-3-2-4-9-14/h2-4,6-9,11,15H,5,10,12H2,1H3/b13-7+/t15-/m0/s1
InChIKeyQTCCKFOIDONLJV-COSNYCCFSA-N
MW214.31 g/mol
LogP3.52
Rot. Bonds4

About (2S)-2-[(E)-5-phenylpent-2-en-2-yl]-2,5-dihydrofuran

(2S)-2-[(E)-5-phenylpent-2-en-2-yl]-2,5-dihydrofuran (PubChem CID 135041409) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is (2S)-2-[(E)-5-phenylpent-2-en-2-yl]-2,5-dihydrofuran.

Molecular Properties

Compound Name(2S)-2-[(E)-5-phenylpent-2-en-2-yl]-2,5-dihydrofuran
PubChem CID135041409
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name(2S)-2-[(E)-5-phenylpent-2-en-2-yl]-2,5-dihydrofuran
SMILESC/C(=C\CCc1ccccc1)[C@@H]1C=CCO1
InChIInChI=1S/C15H18O/c1-13(15-11-6-12-16-15)7-5-10-14-8-3-2-4-9-14/h2-4,6-9,11,15H,5,10,12H2,1H3/b13-7+/t15-/m0/s1
InChIKeyQTCCKFOIDONLJV-COSNYCCFSA-N
XLogP3.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.52
H-Bond Donors ≤ 50
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 (2S)-2-[(E)-5-phenylpent-2-en-2-yl]-2,5-dihydrofuran?
The IUPAC name of (2S)-2-[(E)-5-phenylpent-2-en-2-yl]-2,5-dihydrofuran (CID 135041409) is (2S)-2-[(E)-5-phenylpent-2-en-2-yl]-2,5-dihydrofuran.
What is the SMILES notation for (2S)-2-[(E)-5-phenylpent-2-en-2-yl]-2,5-dihydrofuran?
The canonical SMILES for (2S)-2-[(E)-5-phenylpent-2-en-2-yl]-2,5-dihydrofuran is C/C(=C\CCc1ccccc1)[C@@H]1C=CCO1.
What is the InChIKey of (2S)-2-[(E)-5-phenylpent-2-en-2-yl]-2,5-dihydrofuran?
The InChIKey is QTCCKFOIDONLJV-COSNYCCFSA-N. The full InChI is InChI=1S/C15H18O/c1-13(15-11-6-12-16-15)7-5-10-14-8-3-2-4-9-14/h2-4,6-9,11,15H,5,10,12H2,1H3/b13-7+/t15-/m0/s1.
What are the key properties of (2S)-2-[(E)-5-phenylpent-2-en-2-yl]-2,5-dihydrofuran?
(2S)-2-[(E)-5-phenylpent-2-en-2-yl]-2,5-dihydrofuran has a molecular weight of 214.31 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(E)-5-phenylpent-2-en-2-yl]-2,5-dihydrofuran is sourced from PubChem (CID 135041409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).