2,4-diphenyl-4H-chromene

C21H16O — CID 4524534

IUPAC2,4-diphenyl-4H-chromene
SMILESC1=C(c2ccccc2)Oc2ccccc2C1c1ccccc1
InChIInChI=1S/C21H16O/c1-3-9-16(10-4-1)19-15-21(17-11-5-2-6-12-17)22-20-14-8-7-13-18(19)20/h1-15,19H
InChIKeyPZZKQIVCCJKOFC-UHFFFAOYSA-N
MW284.36 g/mol
LogP5.25
Rot. Bonds2

About 2,4-diphenyl-4H-chromene

2,4-diphenyl-4H-chromene (PubChem CID 4524534) has the molecular formula C21H16O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2,4-diphenyl-4H-chromene.

Molecular Properties

Compound Name2,4-diphenyl-4H-chromene
PubChem CID4524534
Molecular FormulaC21H16O
Molecular Weight284.36 g/mol
Exact Mass284.12
IUPAC Name2,4-diphenyl-4H-chromene
SMILESC1=C(c2ccccc2)Oc2ccccc2C1c1ccccc1
InChIInChI=1S/C21H16O/c1-3-9-16(10-4-1)19-15-21(17-11-5-2-6-12-17)22-20-14-8-7-13-18(19)20/h1-15,19H
InChIKeyPZZKQIVCCJKOFC-UHFFFAOYSA-N
XLogP5.25
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 ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-4H-chromene?
The IUPAC name of 2,4-diphenyl-4H-chromene (CID 4524534) is 2,4-diphenyl-4H-chromene.
What is the SMILES notation for 2,4-diphenyl-4H-chromene?
The canonical SMILES for 2,4-diphenyl-4H-chromene is C1=C(c2ccccc2)Oc2ccccc2C1c1ccccc1.
What is the InChIKey of 2,4-diphenyl-4H-chromene?
The InChIKey is PZZKQIVCCJKOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O/c1-3-9-16(10-4-1)19-15-21(17-11-5-2-6-12-17)22-20-14-8-7-13-18(19)20/h1-15,19H.
What are the key properties of 2,4-diphenyl-4H-chromene?
2,4-diphenyl-4H-chromene has a molecular weight of 284.36 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-4H-chromene is sourced from PubChem (CID 4524534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).