3'-phenyl-2,2'-spirobi[chromene]

C23H16O2 — CID 6612157

IUPAC3'-phenyl-2,2'-spirobi[chromene]
SMILESC1=CC2(Oc3ccccc31)Oc1ccccc1C=C2c1ccccc1
InChIInChI=1S/C23H16O2/c1-2-8-17(9-3-1)20-16-19-11-5-7-13-22(19)25-23(20)15-14-18-10-4-6-12-21(18)24-23/h1-16H
InChIKeyMMCOFRQOVOSGQX-UHFFFAOYSA-N
MW324.38 g/mol
LogP5.42
Rot. Bonds1

About 3'-phenyl-2,2'-spirobi[chromene]

3'-phenyl-2,2'-spirobi[chromene] (PubChem CID 6612157) has the molecular formula C23H16O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3'-phenyl-2,2'-spirobi[chromene].

Molecular Properties

Compound Name3'-phenyl-2,2'-spirobi[chromene]
PubChem CID6612157
Molecular FormulaC23H16O2
Molecular Weight324.38 g/mol
Exact Mass324.12
IUPAC Name3'-phenyl-2,2'-spirobi[chromene]
SMILESC1=CC2(Oc3ccccc31)Oc1ccccc1C=C2c1ccccc1
InChIInChI=1S/C23H16O2/c1-2-8-17(9-3-1)20-16-19-11-5-7-13-22(19)25-23(20)15-14-18-10-4-6-12-21(18)24-23/h1-16H
InChIKeyMMCOFRQOVOSGQX-UHFFFAOYSA-N
XLogP5.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.38
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3'-phenyl-2,2'-spirobi[chromene]?
The IUPAC name of 3'-phenyl-2,2'-spirobi[chromene] (CID 6612157) is 3'-phenyl-2,2'-spirobi[chromene].
What is the SMILES notation for 3'-phenyl-2,2'-spirobi[chromene]?
The canonical SMILES for 3'-phenyl-2,2'-spirobi[chromene] is C1=CC2(Oc3ccccc31)Oc1ccccc1C=C2c1ccccc1.
What is the InChIKey of 3'-phenyl-2,2'-spirobi[chromene]?
The InChIKey is MMCOFRQOVOSGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16O2/c1-2-8-17(9-3-1)20-16-19-11-5-7-13-22(19)25-23(20)15-14-18-10-4-6-12-21(18)24-23/h1-16H.
What are the key properties of 3'-phenyl-2,2'-spirobi[chromene]?
3'-phenyl-2,2'-spirobi[chromene] has a molecular weight of 324.38 g/mol, XLogP of 5.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-phenyl-2,2'-spirobi[chromene] is sourced from PubChem (CID 6612157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).