2-butyl-2-phenyl-4H-chromen-3-one

C19H20O2 — CID 175056331

IUPAC2-butyl-2-phenyl-4H-chromen-3-one
SMILESCCCCC1(c2ccccc2)Oc2ccccc2CC1=O
InChIInChI=1S/C19H20O2/c1-2-3-13-19(16-10-5-4-6-11-16)18(20)14-15-9-7-8-12-17(15)21-19/h4-12H,2-3,13-14H2,1H3
InChIKeyXDBXJFVRZFTKFB-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.28
Rot. Bonds4

About 2-butyl-2-phenyl-4H-chromen-3-one

2-butyl-2-phenyl-4H-chromen-3-one (PubChem CID 175056331) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-butyl-2-phenyl-4H-chromen-3-one.

Molecular Properties

Compound Name2-butyl-2-phenyl-4H-chromen-3-one
PubChem CID175056331
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name2-butyl-2-phenyl-4H-chromen-3-one
SMILESCCCCC1(c2ccccc2)Oc2ccccc2CC1=O
InChIInChI=1S/C19H20O2/c1-2-3-13-19(16-10-5-4-6-11-16)18(20)14-15-9-7-8-12-17(15)21-19/h4-12H,2-3,13-14H2,1H3
InChIKeyXDBXJFVRZFTKFB-UHFFFAOYSA-N
XLogP4.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Xanthone
CID 7020
4'-Isopropylflavone
CID 2802462
Xanthene-9-carboxylic acid
CID 65736
3,4-Dihydrospiro[1-benzopyran-2,1'-cyclohexane]-4-one
CID 11106781
2,2-Dimethyl-chroman-4-one
CID 7454290
Methyl 8-((1,1'-biphenyl)-4-yloxy)-2-oxooctanoate
CID 44341045
Methyl 2-oxo-7-(4-phenylphenoxy)heptanoate
CID 44341243
3-Methoxyflavone
CID 146013
4-Methyl-3-phenylcoumarin
CID 477709
methyl 9H-xanthene-9-carboxylate
CID 699662
Methyl 2-oxo-9-(4-phenylphenoxy)nonanoate
CID 44341044
2-(2,4-Dimethylphenoxy)-1,4-dihydronaphthalene-1,4-dione
CID 44447798

Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-phenyl-4H-chromen-3-one?
The IUPAC name of 2-butyl-2-phenyl-4H-chromen-3-one (CID 175056331) is 2-butyl-2-phenyl-4H-chromen-3-one.
What is the SMILES notation for 2-butyl-2-phenyl-4H-chromen-3-one?
The canonical SMILES for 2-butyl-2-phenyl-4H-chromen-3-one is CCCCC1(c2ccccc2)Oc2ccccc2CC1=O.
What is the InChIKey of 2-butyl-2-phenyl-4H-chromen-3-one?
The InChIKey is XDBXJFVRZFTKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-2-3-13-19(16-10-5-4-6-11-16)18(20)14-15-9-7-8-12-17(15)21-19/h4-12H,2-3,13-14H2,1H3.
What are the key properties of 2-butyl-2-phenyl-4H-chromen-3-one?
2-butyl-2-phenyl-4H-chromen-3-one has a molecular weight of 280.37 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-phenyl-4H-chromen-3-one is sourced from PubChem (CID 175056331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).