4-phenylspiro[4.5]deca-6,9-diene-3,8-dione

C16H14O2 — CID 15701388

IUPAC4-phenylspiro[4.5]deca-6,9-diene-3,8-dione
SMILESO=C1C=CC2(C=C1)CCC(=O)C2c1ccccc1
InChIInChI=1S/C16H14O2/c17-13-6-9-16(10-7-13)11-8-14(18)15(16)12-4-2-1-3-5-12/h1-7,9-10,15H,8,11H2
InChIKeyAOHMZMSCUOGZAM-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.81
Rot. Bonds1

About 4-phenylspiro[4.5]deca-6,9-diene-3,8-dione

4-phenylspiro[4.5]deca-6,9-diene-3,8-dione (PubChem CID 15701388) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-phenylspiro[4.5]deca-6,9-diene-3,8-dione.

Molecular Properties

Compound Name4-phenylspiro[4.5]deca-6,9-diene-3,8-dione
PubChem CID15701388
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name4-phenylspiro[4.5]deca-6,9-diene-3,8-dione
SMILESO=C1C=CC2(C=C1)CCC(=O)C2c1ccccc1
InChIInChI=1S/C16H14O2/c17-13-6-9-16(10-7-13)11-8-14(18)15(16)12-4-2-1-3-5-12/h1-7,9-10,15H,8,11H2
InChIKeyAOHMZMSCUOGZAM-UHFFFAOYSA-N
XLogP2.81
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-2,3-diphenyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
CID 10063606
2,3-diphenyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
CID 10447753
4-hydroxy-4-methyl-5-phenylcyclopent-2-en-1-one
CID 10997780
2,3-diphenylcyclododecane-1,4-dione
CID 101032541
2-phenylspiro[2.4]heptane-4,7-dione
CID 132603438
(4aR,10aR)-4,4-dimethyl-9-phenyl-2,3,4a,9,10,10a-hexahydrophenanthren-1-one
CID 101243651
(2S,6S)-2,6-diphenylthiane
CID 7065629
2-bromo-4,4-diphenylcyclohexan-1-one
CID 68684399
2,2,3,3-tetradeuterio-4-phenylcyclohexan-1-one
CID 139660761
spiro[2H-1-benzofuran-3,4'-cyclohexa-2,5-diene]-1'-one
CID 10821793
(4S)-4-phenyl-2,8-diazaspiro[4.5]decan-3-one
CID 86332310
(10S,11S)-tetracyclo[8.4.0.01,11.04,9]tetradeca-2,4,6,8-tetraen-12-one
CID 10375433

Frequently Asked Questions

What is the IUPAC name of 4-phenylspiro[4.5]deca-6,9-diene-3,8-dione?
The IUPAC name of 4-phenylspiro[4.5]deca-6,9-diene-3,8-dione (CID 15701388) is 4-phenylspiro[4.5]deca-6,9-diene-3,8-dione.
What is the SMILES notation for 4-phenylspiro[4.5]deca-6,9-diene-3,8-dione?
The canonical SMILES for 4-phenylspiro[4.5]deca-6,9-diene-3,8-dione is O=C1C=CC2(C=C1)CCC(=O)C2c1ccccc1.
What is the InChIKey of 4-phenylspiro[4.5]deca-6,9-diene-3,8-dione?
The InChIKey is AOHMZMSCUOGZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c17-13-6-9-16(10-7-13)11-8-14(18)15(16)12-4-2-1-3-5-12/h1-7,9-10,15H,8,11H2.
What are the key properties of 4-phenylspiro[4.5]deca-6,9-diene-3,8-dione?
4-phenylspiro[4.5]deca-6,9-diene-3,8-dione has a molecular weight of 238.29 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylspiro[4.5]deca-6,9-diene-3,8-dione is sourced from PubChem (CID 15701388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).