2-phenylchromen-4-one

C30H20O4 — CID 90124083

IUPAC2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2ccccc12.O=c1cc(-c2ccccc2)oc2ccccc12
InChIInChI=1S/2C15H10O2/c2*16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h2*1-10H
InChIKeyABJJEPCCQQOWBG-UHFFFAOYSA-N
MW444.49 g/mol
LogP6.92
Rot. Bonds2

About 2-phenylchromen-4-one

2-phenylchromen-4-one (PubChem CID 90124083) has the molecular formula C30H20O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is 2-phenylchromen-4-one.

Molecular Properties

Compound Name2-phenylchromen-4-one
PubChem CID90124083
Molecular FormulaC30H20O4
Molecular Weight444.49 g/mol
Exact Mass444.14
IUPAC Name2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2ccccc12.O=c1cc(-c2ccccc2)oc2ccccc12
InChIInChI=1S/2C15H10O2/c2*16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h2*1-10H
InChIKeyABJJEPCCQQOWBG-UHFFFAOYSA-N
XLogP6.92
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.49
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenylchromen-4-one?
The IUPAC name of 2-phenylchromen-4-one (CID 90124083) is 2-phenylchromen-4-one.
What is the SMILES notation for 2-phenylchromen-4-one?
The canonical SMILES for 2-phenylchromen-4-one is O=c1cc(-c2ccccc2)oc2ccccc12.O=c1cc(-c2ccccc2)oc2ccccc12.
What is the InChIKey of 2-phenylchromen-4-one?
The InChIKey is ABJJEPCCQQOWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H10O2/c2*16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h2*1-10H.
What are the key properties of 2-phenylchromen-4-one?
2-phenylchromen-4-one has a molecular weight of 444.49 g/mol, XLogP of 6.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylchromen-4-one is sourced from PubChem (CID 90124083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).