(6S,7R)-2,7-diphenylbicyclo[4.2.0]oct-1-ene

C20H20 — CID 102421677

IUPAC(6S,7R)-2,7-diphenylbicyclo[4.2.0]oct-1-ene
SMILESc1ccc(C2=C3C[C@@H](c4ccccc4)[C@@H]3CCC2)cc1
InChIInChI=1S/C20H20/c1-3-8-15(9-4-1)17-12-7-13-18-19(14-20(17)18)16-10-5-2-6-11-16/h1-6,8-11,18-19H,7,12-14H2/t18-,19-/m0/s1
InChIKeyUSZJSFQYENWYPU-OALUTQOASA-N
MW260.38 g/mol
LogP5.43
Rot. Bonds2

About (6S,7R)-2,7-diphenylbicyclo[4.2.0]oct-1-ene

(6S,7R)-2,7-diphenylbicyclo[4.2.0]oct-1-ene (PubChem CID 102421677) has the molecular formula C20H20 and a molecular weight of 260.38 g/mol. Its IUPAC name is (6S,7R)-2,7-diphenylbicyclo[4.2.0]oct-1-ene.

Molecular Properties

Compound Name(6S,7R)-2,7-diphenylbicyclo[4.2.0]oct-1-ene
PubChem CID102421677
Molecular FormulaC20H20
Molecular Weight260.38 g/mol
Exact Mass260.16
IUPAC Name(6S,7R)-2,7-diphenylbicyclo[4.2.0]oct-1-ene
SMILESc1ccc(C2=C3C[C@@H](c4ccccc4)[C@@H]3CCC2)cc1
InChIInChI=1S/C20H20/c1-3-8-15(9-4-1)17-12-7-13-18-19(14-20(17)18)16-10-5-2-6-11-16/h1-6,8-11,18-19H,7,12-14H2/t18-,19-/m0/s1
InChIKeyUSZJSFQYENWYPU-OALUTQOASA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.38
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2-chloro-3-phenylcyclohexen-1-yl)benzene
CID 14737119
3,4-diphenylcycloheptan-1-one;ethane
CID 123156806
cis-(1S,2R)-2-phenylcyclooctane-1-carboxylic acid;(1Z)-2-phenylcyclooctene-1-carboxylic acid
CID 158372256
(1Z)-1,2-diphenylcyclododecene
CID 5378897
(6S,7S)-6-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2,11,13-tetraen-4-one
CID 11841590
(1R)-2-methyl-3-phenylcyclohex-2-en-1-ol
CID 167268356
8-phenylbicyclo[5.2.0]non-1-ene
CID 134982556
trans-(2S,3R)-3-phenyl-2-phenylselanylcyclohexan-1-one
CID 23254001
trifluoro-(2-phenylcyclohexyl)boranuide
CID 102399053
(2-methylcyclopentyl)benzene
CID 12600454
CID 102445738
CID 102445738
2-phenylcycloheptane-1-carbonitrile
CID 82241213

Frequently Asked Questions

What is the IUPAC name of (6S,7R)-2,7-diphenylbicyclo[4.2.0]oct-1-ene?
The IUPAC name of (6S,7R)-2,7-diphenylbicyclo[4.2.0]oct-1-ene (CID 102421677) is (6S,7R)-2,7-diphenylbicyclo[4.2.0]oct-1-ene.
What is the SMILES notation for (6S,7R)-2,7-diphenylbicyclo[4.2.0]oct-1-ene?
The canonical SMILES for (6S,7R)-2,7-diphenylbicyclo[4.2.0]oct-1-ene is c1ccc(C2=C3C[C@@H](c4ccccc4)[C@@H]3CCC2)cc1.
What is the InChIKey of (6S,7R)-2,7-diphenylbicyclo[4.2.0]oct-1-ene?
The InChIKey is USZJSFQYENWYPU-OALUTQOASA-N. The full InChI is InChI=1S/C20H20/c1-3-8-15(9-4-1)17-12-7-13-18-19(14-20(17)18)16-10-5-2-6-11-16/h1-6,8-11,18-19H,7,12-14H2/t18-,19-/m0/s1.
What are the key properties of (6S,7R)-2,7-diphenylbicyclo[4.2.0]oct-1-ene?
(6S,7R)-2,7-diphenylbicyclo[4.2.0]oct-1-ene has a molecular weight of 260.38 g/mol, XLogP of 5.43, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7R)-2,7-diphenylbicyclo[4.2.0]oct-1-ene is sourced from PubChem (CID 102421677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).