2,4-diphenyl-3-oxaspiro[5.5]undeca-1,4-diene

C22H22O — CID 25243036

IUPAC2,4-diphenyl-3-oxaspiro[5.5]undeca-1,4-diene
SMILESC1=C(c2ccccc2)OC(c2ccccc2)=CC12CCCCC2
InChIInChI=1S/C22H22O/c1-4-10-18(11-5-1)20-16-22(14-8-3-9-15-22)17-21(23-20)19-12-6-2-7-13-19/h1-2,4-7,10-13,16-17H,3,8-9,14-15H2
InChIKeyZULNRUBNTICGSZ-UHFFFAOYSA-N
MW302.42 g/mol
LogP6.05
Rot. Bonds2

About 2,4-diphenyl-3-oxaspiro[5.5]undeca-1,4-diene

2,4-diphenyl-3-oxaspiro[5.5]undeca-1,4-diene (PubChem CID 25243036) has the molecular formula C22H22O and a molecular weight of 302.42 g/mol. Its IUPAC name is 2,4-diphenyl-3-oxaspiro[5.5]undeca-1,4-diene.

Molecular Properties

Compound Name2,4-diphenyl-3-oxaspiro[5.5]undeca-1,4-diene
PubChem CID25243036
Molecular FormulaC22H22O
Molecular Weight302.42 g/mol
Exact Mass302.17
IUPAC Name2,4-diphenyl-3-oxaspiro[5.5]undeca-1,4-diene
SMILESC1=C(c2ccccc2)OC(c2ccccc2)=CC12CCCCC2
InChIInChI=1S/C22H22O/c1-4-10-18(11-5-1)20-16-22(14-8-3-9-15-22)17-21(23-20)19-12-6-2-7-13-19/h1-2,4-7,10-13,16-17H,3,8-9,14-15H2
InChIKeyZULNRUBNTICGSZ-UHFFFAOYSA-N
XLogP6.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.42
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 174877368
4-benzyl-2,4,6-triphenylpyran
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1-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
CID 62900910
spiro[cyclohexane-1,9'-xanthene]
CID 12861604
(1Z)-1,2-diphenylcyclododecene
CID 5378897
benzene;bis(1,1'-biphenyl);methane
CID 158742993
2-phenyl-1-oxa-3-azaspiro[4.5]dec-2-ene
CID 576029
2-phenyl-3-oxa-1-azaspiro[5.6]dodec-1-en-4-one
CID 570147
1,1-diphenylcyclotetradecane
CID 175822005
2,4-diphenyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
CID 628061
2-methoxy-4-phenyl-1-oxaspiro[4.5]dec-3-ene
CID 162402238
2,3-diphenyl-1,4-diazaspiro[4.4]nona-1,3-diene
CID 757371

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-3-oxaspiro[5.5]undeca-1,4-diene?
The IUPAC name of 2,4-diphenyl-3-oxaspiro[5.5]undeca-1,4-diene (CID 25243036) is 2,4-diphenyl-3-oxaspiro[5.5]undeca-1,4-diene.
What is the SMILES notation for 2,4-diphenyl-3-oxaspiro[5.5]undeca-1,4-diene?
The canonical SMILES for 2,4-diphenyl-3-oxaspiro[5.5]undeca-1,4-diene is C1=C(c2ccccc2)OC(c2ccccc2)=CC12CCCCC2.
What is the InChIKey of 2,4-diphenyl-3-oxaspiro[5.5]undeca-1,4-diene?
The InChIKey is ZULNRUBNTICGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O/c1-4-10-18(11-5-1)20-16-22(14-8-3-9-15-22)17-21(23-20)19-12-6-2-7-13-19/h1-2,4-7,10-13,16-17H,3,8-9,14-15H2.
What are the key properties of 2,4-diphenyl-3-oxaspiro[5.5]undeca-1,4-diene?
2,4-diphenyl-3-oxaspiro[5.5]undeca-1,4-diene has a molecular weight of 302.42 g/mol, XLogP of 6.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-3-oxaspiro[5.5]undeca-1,4-diene is sourced from PubChem (CID 25243036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).