(1aR,7S,7aR)-1a,7-diphenyl-7,7a-dihydro-1H-cyclopropa[b]chromene

C22H18O — CID 11892906

IUPAC(1aR,7S,7aR)-1a,7-diphenyl-7,7a-dihydro-1H-cyclopropa[b]chromene
SMILESc1ccc([C@H]2c3ccccc3O[C@]3(c4ccccc4)C[C@H]23)cc1
InChIInChI=1S/C22H18O/c1-3-9-16(10-4-1)21-18-13-7-8-14-20(18)23-22(15-19(21)22)17-11-5-2-6-12-17/h1-14,19,21H,15H2/t19-,21+,22+/m1/s1
InChIKeyJUFPLNWTZDOHHG-HJNYFJLDSA-N
MW298.39 g/mol
LogP5.13
Rot. Bonds2

About (1aR,7S,7aR)-1a,7-diphenyl-7,7a-dihydro-1H-cyclopropa[b]chromene

(1aR,7S,7aR)-1a,7-diphenyl-7,7a-dihydro-1H-cyclopropa[b]chromene (PubChem CID 11892906) has the molecular formula C22H18O and a molecular weight of 298.39 g/mol. Its IUPAC name is (1aR,7S,7aR)-1a,7-diphenyl-7,7a-dihydro-1H-cyclopropa[b]chromene.

Molecular Properties

Compound Name(1aR,7S,7aR)-1a,7-diphenyl-7,7a-dihydro-1H-cyclopropa[b]chromene
PubChem CID11892906
Molecular FormulaC22H18O
Molecular Weight298.39 g/mol
Exact Mass298.14
IUPAC Name(1aR,7S,7aR)-1a,7-diphenyl-7,7a-dihydro-1H-cyclopropa[b]chromene
SMILESc1ccc([C@H]2c3ccccc3O[C@]3(c4ccccc4)C[C@H]23)cc1
InChIInChI=1S/C22H18O/c1-3-9-16(10-4-1)21-18-13-7-8-14-20(18)23-22(15-19(21)22)17-11-5-2-6-12-17/h1-14,19,21H,15H2/t19-,21+,22+/m1/s1
InChIKeyJUFPLNWTZDOHHG-HJNYFJLDSA-N
XLogP5.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.39
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1aR,7S,7aR)-1a,7-diphenyl-7,7a-dihydro-1H-cyclopropa[b]chromene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1aR,7S,7aR)-1a,7-diphenyl-7,7a-dihydro-1H-cyclopropa[b]chromene?
The IUPAC name of (1aR,7S,7aR)-1a,7-diphenyl-7,7a-dihydro-1H-cyclopropa[b]chromene (CID 11892906) is (1aR,7S,7aR)-1a,7-diphenyl-7,7a-dihydro-1H-cyclopropa[b]chromene.
What is the SMILES notation for (1aR,7S,7aR)-1a,7-diphenyl-7,7a-dihydro-1H-cyclopropa[b]chromene?
The canonical SMILES for (1aR,7S,7aR)-1a,7-diphenyl-7,7a-dihydro-1H-cyclopropa[b]chromene is c1ccc([C@H]2c3ccccc3O[C@]3(c4ccccc4)C[C@H]23)cc1.
What is the InChIKey of (1aR,7S,7aR)-1a,7-diphenyl-7,7a-dihydro-1H-cyclopropa[b]chromene?
The InChIKey is JUFPLNWTZDOHHG-HJNYFJLDSA-N. The full InChI is InChI=1S/C22H18O/c1-3-9-16(10-4-1)21-18-13-7-8-14-20(18)23-22(15-19(21)22)17-11-5-2-6-12-17/h1-14,19,21H,15H2/t19-,21+,22+/m1/s1.
What are the key properties of (1aR,7S,7aR)-1a,7-diphenyl-7,7a-dihydro-1H-cyclopropa[b]chromene?
(1aR,7S,7aR)-1a,7-diphenyl-7,7a-dihydro-1H-cyclopropa[b]chromene has a molecular weight of 298.39 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1aR,7S,7aR)-1a,7-diphenyl-7,7a-dihydro-1H-cyclopropa[b]chromene is sourced from PubChem (CID 11892906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).