4-hydroxy-3-[(E)-4-phenylbut-3-en-2-yl]-1-oxaspiro[4.5]dec-3-en-2-one

C19H22O3 — CID 54704541

IUPAC4-hydroxy-3-[(E)-4-phenylbut-3-en-2-yl]-1-oxaspiro[4.5]dec-3-en-2-one
SMILESCC(/C=C/c1ccccc1)C1=C(O)C2(CCCCC2)OC1=O
InChIInChI=1S/C19H22O3/c1-14(10-11-15-8-4-2-5-9-15)16-17(20)19(22-18(16)21)12-6-3-7-13-19/h2,4-5,8-11,14,20H,3,6-7,12-13H2,1H3/b11-10+
InChIKeyJETSHTLMHMONAJ-ZHACJKMWSA-N
MW298.38 g/mol
LogP4.41
Rot. Bonds3

About 4-hydroxy-3-[(E)-4-phenylbut-3-en-2-yl]-1-oxaspiro[4.5]dec-3-en-2-one

4-hydroxy-3-[(E)-4-phenylbut-3-en-2-yl]-1-oxaspiro[4.5]dec-3-en-2-one (PubChem CID 54704541) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-hydroxy-3-[(E)-4-phenylbut-3-en-2-yl]-1-oxaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[(E)-4-phenylbut-3-en-2-yl]-1-oxaspiro[4.5]dec-3-en-2-one
PubChem CID54704541
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name4-hydroxy-3-[(E)-4-phenylbut-3-en-2-yl]-1-oxaspiro[4.5]dec-3-en-2-one
SMILESCC(/C=C/c1ccccc1)C1=C(O)C2(CCCCC2)OC1=O
InChIInChI=1S/C19H22O3/c1-14(10-11-15-8-4-2-5-9-15)16-17(20)19(22-18(16)21)12-6-3-7-13-19/h2,4-5,8-11,14,20H,3,6-7,12-13H2,1H3/b11-10+
InChIKeyJETSHTLMHMONAJ-ZHACJKMWSA-N
XLogP4.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-3-[(E)-4-phenylbut-3-en-2-yl]-1-oxaspiro[4.5]dec-3-en-2-one with MolForge

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Related Compounds

3-[(E)-hex-3-en-2-yl]-4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one
CID 54678669
3-(1-hydroxyethyl)-4-phenyl-1-oxaspiro[4.5]dec-3-en-2-one
CID 163360884
1-methyl-4-[(E,2R)-4-phenylbut-3-en-2-yl]benzene
CID 102584248
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
trimethyl(2-phenylethenyl)phosphanium
CID 69015838
phenyl (E)-2-methyl-4-phenylbut-3-enoate
CID 11482156
(E)-3-amino-2-methyl-5-phenylpent-4-enoic acid
CID 18957413
5-phenyl-2-(4-phenylbut-3-en-2-yl)pyridine
CID 175403144
1-[(E,3S)-3-phenylbut-1-enyl]-4-propan-2-ylbenzene
CID 11288169
1-phenyl-4-[(E)-3-(4-phenylphenyl)but-1-enyl]benzene
CID 102073243
(Z)-2-methyl-4-phenylbut-3-enethioic S-acid
CID 118703780
(E)-1-(1-hydroxycyclohexyl)-3-phenylprop-2-en-1-one
CID 770257

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(E)-4-phenylbut-3-en-2-yl]-1-oxaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-hydroxy-3-[(E)-4-phenylbut-3-en-2-yl]-1-oxaspiro[4.5]dec-3-en-2-one (CID 54704541) is 4-hydroxy-3-[(E)-4-phenylbut-3-en-2-yl]-1-oxaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-hydroxy-3-[(E)-4-phenylbut-3-en-2-yl]-1-oxaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-hydroxy-3-[(E)-4-phenylbut-3-en-2-yl]-1-oxaspiro[4.5]dec-3-en-2-one is CC(/C=C/c1ccccc1)C1=C(O)C2(CCCCC2)OC1=O.
What is the InChIKey of 4-hydroxy-3-[(E)-4-phenylbut-3-en-2-yl]-1-oxaspiro[4.5]dec-3-en-2-one?
The InChIKey is JETSHTLMHMONAJ-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H22O3/c1-14(10-11-15-8-4-2-5-9-15)16-17(20)19(22-18(16)21)12-6-3-7-13-19/h2,4-5,8-11,14,20H,3,6-7,12-13H2,1H3/b11-10+.
What are the key properties of 4-hydroxy-3-[(E)-4-phenylbut-3-en-2-yl]-1-oxaspiro[4.5]dec-3-en-2-one?
4-hydroxy-3-[(E)-4-phenylbut-3-en-2-yl]-1-oxaspiro[4.5]dec-3-en-2-one has a molecular weight of 298.38 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(E)-4-phenylbut-3-en-2-yl]-1-oxaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 54704541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).