(2S)-4-(4-tert-butylphenyl)-2-prop-2-enyl-2H-furan-5-one

C17H20O2 — CID 102223760

IUPAC(2S)-4-(4-tert-butylphenyl)-2-prop-2-enyl-2H-furan-5-one
SMILESC=CC[C@H]1C=C(c2ccc(C(C)(C)C)cc2)C(=O)O1
InChIInChI=1S/C17H20O2/c1-5-6-14-11-15(16(18)19-14)12-7-9-13(10-8-12)17(2,3)4/h5,7-11,14H,1,6H2,2-4H3/t14-/m0/s1
InChIKeyMTZYTPOKUQDBLG-AWEZNQCLSA-N
MW256.34 g/mol
LogP3.87
Rot. Bonds3

About (2S)-4-(4-tert-butylphenyl)-2-prop-2-enyl-2H-furan-5-one

(2S)-4-(4-tert-butylphenyl)-2-prop-2-enyl-2H-furan-5-one (PubChem CID 102223760) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is (2S)-4-(4-tert-butylphenyl)-2-prop-2-enyl-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-4-(4-tert-butylphenyl)-2-prop-2-enyl-2H-furan-5-one
PubChem CID102223760
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name(2S)-4-(4-tert-butylphenyl)-2-prop-2-enyl-2H-furan-5-one
SMILESC=CC[C@H]1C=C(c2ccc(C(C)(C)C)cc2)C(=O)O1
InChIInChI=1S/C17H20O2/c1-5-6-14-11-15(16(18)19-14)12-7-9-13(10-8-12)17(2,3)4/h5,7-11,14H,1,6H2,2-4H3/t14-/m0/s1
InChIKeyMTZYTPOKUQDBLG-AWEZNQCLSA-N
XLogP3.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(2-chloroprop-2-enyl)-4-phenyl-2H-furan-5-one
CID 164513807
(2R)-4-(3,4-dichlorophenyl)-2-(hydroxymethyl)-2H-furan-5-one
CID 11097268
1-tert-butyl-4-[4-(2-methylbut-3-enyl)phenyl]benzene
CID 170786148
(4-tert-butylphenyl)-dimethyl-prop-2-enylsilane
CID 122202582
1-(3-bromo-2-methylhex-5-en-3-yl)-4-tert-butylbenzene
CID 57289351
4-tert-butyl-N-[4-(prop-2-enylamino)phenyl]benzenesulfonamide
CID 112980197
1-(2-bromoprop-2-enyl)-4-tert-butylbenzene
CID 2756861
1-tert-butyl-4-phenylbenzene;sulfuryl dichloride
CID 174793677
(4Z)-4-[(4-tert-butylphenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 19665289
4-(3-methoxyphenyl)-2-propyl-2H-furan-5-one
CID 142708556
4-[(4-bromophenyl)methylidene]-2-(4-tert-butylphenyl)-1,3-oxazol-5-one
CID 3102617
4-phenyl-2-propan-2-yl-2H-furan-5-one
CID 10703288

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(4-tert-butylphenyl)-2-prop-2-enyl-2H-furan-5-one?
The IUPAC name of (2S)-4-(4-tert-butylphenyl)-2-prop-2-enyl-2H-furan-5-one (CID 102223760) is (2S)-4-(4-tert-butylphenyl)-2-prop-2-enyl-2H-furan-5-one.
What is the SMILES notation for (2S)-4-(4-tert-butylphenyl)-2-prop-2-enyl-2H-furan-5-one?
The canonical SMILES for (2S)-4-(4-tert-butylphenyl)-2-prop-2-enyl-2H-furan-5-one is C=CC[C@H]1C=C(c2ccc(C(C)(C)C)cc2)C(=O)O1.
What is the InChIKey of (2S)-4-(4-tert-butylphenyl)-2-prop-2-enyl-2H-furan-5-one?
The InChIKey is MTZYTPOKUQDBLG-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20O2/c1-5-6-14-11-15(16(18)19-14)12-7-9-13(10-8-12)17(2,3)4/h5,7-11,14H,1,6H2,2-4H3/t14-/m0/s1.
What are the key properties of (2S)-4-(4-tert-butylphenyl)-2-prop-2-enyl-2H-furan-5-one?
(2S)-4-(4-tert-butylphenyl)-2-prop-2-enyl-2H-furan-5-one has a molecular weight of 256.34 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(4-tert-butylphenyl)-2-prop-2-enyl-2H-furan-5-one is sourced from PubChem (CID 102223760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).