2,5-diphenylchromen-4-one

C21H14O2 — CID 71424268

IUPAC2,5-diphenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2cccc(-c3ccccc3)c12
InChIInChI=1S/C21H14O2/c22-18-14-20(16-10-5-2-6-11-16)23-19-13-7-12-17(21(18)19)15-8-3-1-4-9-15/h1-14H
InChIKeyLLTQRFAYXVMWPN-UHFFFAOYSA-N
MW298.34 g/mol
LogP5.13
Rot. Bonds2

About 2,5-diphenylchromen-4-one

2,5-diphenylchromen-4-one (PubChem CID 71424268) has the molecular formula C21H14O2 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2,5-diphenylchromen-4-one.

Molecular Properties

Compound Name2,5-diphenylchromen-4-one
PubChem CID71424268
Molecular FormulaC21H14O2
Molecular Weight298.34 g/mol
Exact Mass298.10
IUPAC Name2,5-diphenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2cccc(-c3ccccc3)c12
InChIInChI=1S/C21H14O2/c22-18-14-20(16-10-5-2-6-11-16)23-19-13-7-12-17(21(18)19)15-8-3-1-4-9-15/h1-14H
InChIKeyLLTQRFAYXVMWPN-UHFFFAOYSA-N
XLogP5.13
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.34
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-diphenylchromen-4-one?
The IUPAC name of 2,5-diphenylchromen-4-one (CID 71424268) is 2,5-diphenylchromen-4-one.
What is the SMILES notation for 2,5-diphenylchromen-4-one?
The canonical SMILES for 2,5-diphenylchromen-4-one is O=c1cc(-c2ccccc2)oc2cccc(-c3ccccc3)c12.
What is the InChIKey of 2,5-diphenylchromen-4-one?
The InChIKey is LLTQRFAYXVMWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14O2/c22-18-14-20(16-10-5-2-6-11-16)23-19-13-7-12-17(21(18)19)15-8-3-1-4-9-15/h1-14H.
What are the key properties of 2,5-diphenylchromen-4-one?
2,5-diphenylchromen-4-one has a molecular weight of 298.34 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenylchromen-4-one is sourced from PubChem (CID 71424268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).