(1R,1aS,6aR)-1-methyl-1a,6a-diphenyl-1,6-dihydrocyclopropa[a]indene

C23H20 — CID 134980767

IUPAC(1R,1aS,6aR)-1-methyl-1a,6a-diphenyl-1,6-dihydrocyclopropa[a]indene
SMILESC[C@H]1[C@]2(c3ccccc3)c3ccccc3C[C@]12c1ccccc1
InChIInChI=1S/C23H20/c1-17-22(19-11-4-2-5-12-19)16-18-10-8-9-15-21(18)23(17,22)20-13-6-3-7-14-20/h2-15,17H,16H2,1H3/t17-,22-,23+/m1/s1
InChIKeyFYTOHRAZCRAWPK-ZQMYSKGWSA-N
MW296.41 g/mol
LogP5.12
Rot. Bonds2

About (1R,1aS,6aR)-1-methyl-1a,6a-diphenyl-1,6-dihydrocyclopropa[a]indene

(1R,1aS,6aR)-1-methyl-1a,6a-diphenyl-1,6-dihydrocyclopropa[a]indene (PubChem CID 134980767) has the molecular formula C23H20 and a molecular weight of 296.41 g/mol. Its IUPAC name is (1R,1aS,6aR)-1-methyl-1a,6a-diphenyl-1,6-dihydrocyclopropa[a]indene.

Molecular Properties

Compound Name(1R,1aS,6aR)-1-methyl-1a,6a-diphenyl-1,6-dihydrocyclopropa[a]indene
PubChem CID134980767
Molecular FormulaC23H20
Molecular Weight296.41 g/mol
Exact Mass296.16
IUPAC Name(1R,1aS,6aR)-1-methyl-1a,6a-diphenyl-1,6-dihydrocyclopropa[a]indene
SMILESC[C@H]1[C@]2(c3ccccc3)c3ccccc3C[C@]12c1ccccc1
InChIInChI=1S/C23H20/c1-17-22(19-11-4-2-5-12-19)16-18-10-8-9-15-21(18)23(17,22)20-13-6-3-7-14-20/h2-15,17H,16H2,1H3/t17-,22-,23+/m1/s1
InChIKeyFYTOHRAZCRAWPK-ZQMYSKGWSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.41
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1R,1aS,6aR)-1-methyl-1a,6a-diphenyl-1,6-dihydrocyclopropa[a]indene?
The IUPAC name of (1R,1aS,6aR)-1-methyl-1a,6a-diphenyl-1,6-dihydrocyclopropa[a]indene (CID 134980767) is (1R,1aS,6aR)-1-methyl-1a,6a-diphenyl-1,6-dihydrocyclopropa[a]indene.
What is the SMILES notation for (1R,1aS,6aR)-1-methyl-1a,6a-diphenyl-1,6-dihydrocyclopropa[a]indene?
The canonical SMILES for (1R,1aS,6aR)-1-methyl-1a,6a-diphenyl-1,6-dihydrocyclopropa[a]indene is C[C@H]1[C@]2(c3ccccc3)c3ccccc3C[C@]12c1ccccc1.
What is the InChIKey of (1R,1aS,6aR)-1-methyl-1a,6a-diphenyl-1,6-dihydrocyclopropa[a]indene?
The InChIKey is FYTOHRAZCRAWPK-ZQMYSKGWSA-N. The full InChI is InChI=1S/C23H20/c1-17-22(19-11-4-2-5-12-19)16-18-10-8-9-15-21(18)23(17,22)20-13-6-3-7-14-20/h2-15,17H,16H2,1H3/t17-,22-,23+/m1/s1.
What are the key properties of (1R,1aS,6aR)-1-methyl-1a,6a-diphenyl-1,6-dihydrocyclopropa[a]indene?
(1R,1aS,6aR)-1-methyl-1a,6a-diphenyl-1,6-dihydrocyclopropa[a]indene has a molecular weight of 296.41 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,1aS,6aR)-1-methyl-1a,6a-diphenyl-1,6-dihydrocyclopropa[a]indene is sourced from PubChem (CID 134980767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).