(1R)-1,3-diphenyl-1H-isochromene

C21H16O — CID 134958750

IUPAC(1R)-1,3-diphenyl-1H-isochromene
SMILESC1=C(c2ccccc2)O[C@H](c2ccccc2)c2ccccc21
InChIInChI=1S/C21H16O/c1-3-9-16(10-4-1)20-15-18-13-7-8-14-19(18)21(22-20)17-11-5-2-6-12-17/h1-15,21H/t21-/m1/s1
InChIKeyPIIYTTLMUGJVJP-OAQYLSRUSA-N
MW284.36 g/mol
LogP5.30
Rot. Bonds2

About (1R)-1,3-diphenyl-1H-isochromene

(1R)-1,3-diphenyl-1H-isochromene (PubChem CID 134958750) has the molecular formula C21H16O and a molecular weight of 284.36 g/mol. Its IUPAC name is (1R)-1,3-diphenyl-1H-isochromene.

Molecular Properties

Compound Name(1R)-1,3-diphenyl-1H-isochromene
PubChem CID134958750
Molecular FormulaC21H16O
Molecular Weight284.36 g/mol
Exact Mass284.12
IUPAC Name(1R)-1,3-diphenyl-1H-isochromene
SMILESC1=C(c2ccccc2)O[C@H](c2ccccc2)c2ccccc21
InChIInChI=1S/C21H16O/c1-3-9-16(10-4-1)20-15-18-13-7-8-14-19(18)21(22-20)17-11-5-2-6-12-17/h1-15,21H/t21-/m1/s1
InChIKeyPIIYTTLMUGJVJP-OAQYLSRUSA-N
XLogP5.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.36
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-1,3-diphenyl-1H-isochromene?
The IUPAC name of (1R)-1,3-diphenyl-1H-isochromene (CID 134958750) is (1R)-1,3-diphenyl-1H-isochromene.
What is the SMILES notation for (1R)-1,3-diphenyl-1H-isochromene?
The canonical SMILES for (1R)-1,3-diphenyl-1H-isochromene is C1=C(c2ccccc2)O[C@H](c2ccccc2)c2ccccc21.
What is the InChIKey of (1R)-1,3-diphenyl-1H-isochromene?
The InChIKey is PIIYTTLMUGJVJP-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H16O/c1-3-9-16(10-4-1)20-15-18-13-7-8-14-19(18)21(22-20)17-11-5-2-6-12-17/h1-15,21H/t21-/m1/s1.
What are the key properties of (1R)-1,3-diphenyl-1H-isochromene?
(1R)-1,3-diphenyl-1H-isochromene has a molecular weight of 284.36 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1,3-diphenyl-1H-isochromene is sourced from PubChem (CID 134958750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).