8-methylidene-2,4-diphenyl-2,3,4,4a,5,6,7,8a-octahydrochromene

C22H24O — CID 140590307

IUPAC8-methylidene-2,4-diphenyl-2,3,4,4a,5,6,7,8a-octahydrochromene
SMILESC=C1CCCC2C1OC(c1ccccc1)CC2c1ccccc1
InChIInChI=1S/C22H24O/c1-16-9-8-14-19-20(17-10-4-2-5-11-17)15-21(23-22(16)19)18-12-6-3-7-13-18/h2-7,10-13,19-22H,1,8-9,14-15H2
InChIKeyZPQGNNUOWJMJNQ-UHFFFAOYSA-N
MW304.43 g/mol
LogP5.66
Rot. Bonds2

About 8-methylidene-2,4-diphenyl-2,3,4,4a,5,6,7,8a-octahydrochromene

8-methylidene-2,4-diphenyl-2,3,4,4a,5,6,7,8a-octahydrochromene (PubChem CID 140590307) has the molecular formula C22H24O and a molecular weight of 304.43 g/mol. Its IUPAC name is 8-methylidene-2,4-diphenyl-2,3,4,4a,5,6,7,8a-octahydrochromene.

Molecular Properties

Compound Name8-methylidene-2,4-diphenyl-2,3,4,4a,5,6,7,8a-octahydrochromene
PubChem CID140590307
Molecular FormulaC22H24O
Molecular Weight304.43 g/mol
Exact Mass304.18
IUPAC Name8-methylidene-2,4-diphenyl-2,3,4,4a,5,6,7,8a-octahydrochromene
SMILESC=C1CCCC2C1OC(c1ccccc1)CC2c1ccccc1
InChIInChI=1S/C22H24O/c1-16-9-8-14-19-20(17-10-4-2-5-11-17)15-21(23-22(16)19)18-12-6-3-7-13-18/h2-7,10-13,19-22H,1,8-9,14-15H2
InChIKeyZPQGNNUOWJMJNQ-UHFFFAOYSA-N
XLogP5.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.43
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(6R)-2-methylidene-6-phenyloxane
CID 125486345
2-methylidene-6-phenyloxane
CID 102035384
(4aR,8aS)-1-hydroxy-2,4-diphenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 53311038
3,5-diphenylthiolan-2-ol
CID 144931057
(2S,4aS,7S,8aR)-7-methyl-4-methylidene-2-phenyl-2,3,4a,5,6,7,8,8a-octahydrochromene
CID 7074903
2-(2,4-diphenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanol
CID 11121219
(3R,4aR)-3-phenyl-3,4,4a,5,6,7-hexahydrocyclopenta[c]pyran
CID 101427914
[(1S)-2-methylidenecyclobutyl]benzene
CID 163933386
6-phenyl-3-oxabicyclo[3.2.0]heptane
CID 73299099
cis-(1R,2S)-3-methylidene-2-phenylcyclopentan-1-ol
CID 10942959
(3R,3aR,7aS)-3-phenyl-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one
CID 13148720
5-methylidene-6-phenyloxan-2-ol
CID 10535678

Frequently Asked Questions

What is the IUPAC name of 8-methylidene-2,4-diphenyl-2,3,4,4a,5,6,7,8a-octahydrochromene?
The IUPAC name of 8-methylidene-2,4-diphenyl-2,3,4,4a,5,6,7,8a-octahydrochromene (CID 140590307) is 8-methylidene-2,4-diphenyl-2,3,4,4a,5,6,7,8a-octahydrochromene.
What is the SMILES notation for 8-methylidene-2,4-diphenyl-2,3,4,4a,5,6,7,8a-octahydrochromene?
The canonical SMILES for 8-methylidene-2,4-diphenyl-2,3,4,4a,5,6,7,8a-octahydrochromene is C=C1CCCC2C1OC(c1ccccc1)CC2c1ccccc1.
What is the InChIKey of 8-methylidene-2,4-diphenyl-2,3,4,4a,5,6,7,8a-octahydrochromene?
The InChIKey is ZPQGNNUOWJMJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O/c1-16-9-8-14-19-20(17-10-4-2-5-11-17)15-21(23-22(16)19)18-12-6-3-7-13-18/h2-7,10-13,19-22H,1,8-9,14-15H2.
What are the key properties of 8-methylidene-2,4-diphenyl-2,3,4,4a,5,6,7,8a-octahydrochromene?
8-methylidene-2,4-diphenyl-2,3,4,4a,5,6,7,8a-octahydrochromene has a molecular weight of 304.43 g/mol, XLogP of 5.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylidene-2,4-diphenyl-2,3,4,4a,5,6,7,8a-octahydrochromene is sourced from PubChem (CID 140590307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).