2-(2H-chromen-2-yl)chromen-4-one

C18H12O3 — CID 175793106

IUPAC2-(2H-chromen-2-yl)chromen-4-one
SMILESO=c1cc(C2C=Cc3ccccc3O2)oc2ccccc12
InChIInChI=1S/C18H12O3/c19-14-11-18(21-16-8-4-2-6-13(14)16)17-10-9-12-5-1-3-7-15(12)20-17/h1-11,17H
InChIKeyTXDJJHDXEOLTQC-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.94
Rot. Bonds1

About 2-(2H-chromen-2-yl)chromen-4-one

2-(2H-chromen-2-yl)chromen-4-one (PubChem CID 175793106) has the molecular formula C18H12O3 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-(2H-chromen-2-yl)chromen-4-one.

Molecular Properties

Compound Name2-(2H-chromen-2-yl)chromen-4-one
PubChem CID175793106
Molecular FormulaC18H12O3
Molecular Weight276.29 g/mol
Exact Mass276.08
IUPAC Name2-(2H-chromen-2-yl)chromen-4-one
SMILESO=c1cc(C2C=Cc3ccccc3O2)oc2ccccc12
InChIInChI=1S/C18H12O3/c19-14-11-18(21-16-8-4-2-6-13(14)16)17-10-9-12-5-1-3-7-15(12)20-17/h1-11,17H
InChIKeyTXDJJHDXEOLTQC-UHFFFAOYSA-N
XLogP3.94
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclooctylchromen-4-one
CID 122213759
2-(oxolan-3-yl)chromen-4-one
CID 175552746
2-(2,3-dihydroisoquinolin-3-yl)chromen-4-one
CID 90378683
copper;2-phenylchromen-4-one
CID 175169427
2H-chromene-2-thiol
CID 154323304
2-phenylchromen-4-one
CID 90124083
methanamine;2-methylchromen-4-one
CID 91311034
2-(hydroxymethyl)chromen-4-one
CID 12536095
2-(2-chloro-4-methylpyrrolidin-3-yl)chromen-4-one
CID 118541406
4-oxo-N,N-di(propan-2-yl)chromene-2-carboxamide
CID 15041163
2-dibenzofuran-1-ylchromen-4-one
CID 168888509
2-(3-chloropropyl)chromen-4-one
CID 11127898

Frequently Asked Questions

What is the IUPAC name of 2-(2H-chromen-2-yl)chromen-4-one?
The IUPAC name of 2-(2H-chromen-2-yl)chromen-4-one (CID 175793106) is 2-(2H-chromen-2-yl)chromen-4-one.
What is the SMILES notation for 2-(2H-chromen-2-yl)chromen-4-one?
The canonical SMILES for 2-(2H-chromen-2-yl)chromen-4-one is O=c1cc(C2C=Cc3ccccc3O2)oc2ccccc12.
What is the InChIKey of 2-(2H-chromen-2-yl)chromen-4-one?
The InChIKey is TXDJJHDXEOLTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O3/c19-14-11-18(21-16-8-4-2-6-13(14)16)17-10-9-12-5-1-3-7-15(12)20-17/h1-11,17H.
What are the key properties of 2-(2H-chromen-2-yl)chromen-4-one?
2-(2H-chromen-2-yl)chromen-4-one has a molecular weight of 276.29 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-chromen-2-yl)chromen-4-one is sourced from PubChem (CID 175793106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).