(3Z)-3-[(Z)-4-phenylbut-3-en-2-ylidene]oxolan-2-one

C14H14O2 — CID 23650727

IUPAC(3Z)-3-[(Z)-4-phenylbut-3-en-2-ylidene]oxolan-2-one
SMILESCC(/C=C\c1ccccc1)=C1\CCOC1=O
InChIInChI=1S/C14H14O2/c1-11(13-9-10-16-14(13)15)7-8-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3/b8-7-,13-11-
InChIKeyJRZPCSWCYHMKCK-BRTMPNNMSA-N
MW214.26 g/mol
LogP2.96
Rot. Bonds2

About (3Z)-3-[(Z)-4-phenylbut-3-en-2-ylidene]oxolan-2-one

(3Z)-3-[(Z)-4-phenylbut-3-en-2-ylidene]oxolan-2-one (PubChem CID 23650727) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is (3Z)-3-[(Z)-4-phenylbut-3-en-2-ylidene]oxolan-2-one.

Molecular Properties

Compound Name(3Z)-3-[(Z)-4-phenylbut-3-en-2-ylidene]oxolan-2-one
PubChem CID23650727
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name(3Z)-3-[(Z)-4-phenylbut-3-en-2-ylidene]oxolan-2-one
SMILESCC(/C=C\c1ccccc1)=C1\CCOC1=O
InChIInChI=1S/C14H14O2/c1-11(13-9-10-16-14(13)15)7-8-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3/b8-7-,13-11-
InChIKeyJRZPCSWCYHMKCK-BRTMPNNMSA-N
XLogP2.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one
CID 158678637
(3E)-3-[1-[3-[(1E)-1-(2-oxooxolan-3-ylidene)ethyl]phenyl]ethylidene]oxolan-2-one
CID 6038810
(3Z)-3-[1-[3-[(1E)-1-(2-oxooxolan-3-ylidene)ethyl]phenyl]ethylidene]oxolan-2-one
CID 6380723
3-phenylprop-2-enoic acid;hydrofluoride
CID 159150390
acetic acid;stilbene
CID 172803728
3-(1-phenyl-2-trimethylsilylethylidene)oxolan-2-one
CID 71424672
(Z)-3-phenylprop-2-enoic acid
CID 5372954
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
(5-ethyl-2-oxo-1,3-dioxan-5-yl)methyl (E)-3-phenylprop-2-enoate
CID 25172089
potassium;bis(2-benzofuran-1,3-dione);carbanide;methanolate;(E)-3-phenylprop-2-enoate;vanadium
CID 157388324
(2E)-2-(2,3-dihydrochromen-4-ylidene)propanoic acid
CID 131557201
3-phenylprop-2-enoic acid;trimethylsilane
CID 175438890

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(Z)-4-phenylbut-3-en-2-ylidene]oxolan-2-one?
The IUPAC name of (3Z)-3-[(Z)-4-phenylbut-3-en-2-ylidene]oxolan-2-one (CID 23650727) is (3Z)-3-[(Z)-4-phenylbut-3-en-2-ylidene]oxolan-2-one.
What is the SMILES notation for (3Z)-3-[(Z)-4-phenylbut-3-en-2-ylidene]oxolan-2-one?
The canonical SMILES for (3Z)-3-[(Z)-4-phenylbut-3-en-2-ylidene]oxolan-2-one is CC(/C=C\c1ccccc1)=C1\CCOC1=O.
What is the InChIKey of (3Z)-3-[(Z)-4-phenylbut-3-en-2-ylidene]oxolan-2-one?
The InChIKey is JRZPCSWCYHMKCK-BRTMPNNMSA-N. The full InChI is InChI=1S/C14H14O2/c1-11(13-9-10-16-14(13)15)7-8-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3/b8-7-,13-11-.
What are the key properties of (3Z)-3-[(Z)-4-phenylbut-3-en-2-ylidene]oxolan-2-one?
(3Z)-3-[(Z)-4-phenylbut-3-en-2-ylidene]oxolan-2-one has a molecular weight of 214.26 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(Z)-4-phenylbut-3-en-2-ylidene]oxolan-2-one is sourced from PubChem (CID 23650727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).