2,4-dimethyl-2-phenyl-7,8-dihydro-6H-chromen-5-one

C17H18O2 — CID 102262129

IUPAC2,4-dimethyl-2-phenyl-7,8-dihydro-6H-chromen-5-one
SMILESCC1=CC(C)(c2ccccc2)OC2=C1C(=O)CCC2
InChIInChI=1S/C17H18O2/c1-12-11-17(2,13-7-4-3-5-8-13)19-15-10-6-9-14(18)16(12)15/h3-5,7-8,11H,6,9-10H2,1-2H3
InChIKeyFUJOFMQFCJJGPT-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.89
Rot. Bonds1

About 2,4-dimethyl-2-phenyl-7,8-dihydro-6H-chromen-5-one

2,4-dimethyl-2-phenyl-7,8-dihydro-6H-chromen-5-one (PubChem CID 102262129) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2,4-dimethyl-2-phenyl-7,8-dihydro-6H-chromen-5-one.

Molecular Properties

Compound Name2,4-dimethyl-2-phenyl-7,8-dihydro-6H-chromen-5-one
PubChem CID102262129
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name2,4-dimethyl-2-phenyl-7,8-dihydro-6H-chromen-5-one
SMILESCC1=CC(C)(c2ccccc2)OC2=C1C(=O)CCC2
InChIInChI=1S/C17H18O2/c1-12-11-17(2,13-7-4-3-5-8-13)19-15-10-6-9-14(18)16(12)15/h3-5,7-8,11H,6,9-10H2,1-2H3
InChIKeyFUJOFMQFCJJGPT-UHFFFAOYSA-N
XLogP3.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-5-methyl-5-phenylfuran-2-one
CID 14661185
2,3-diphenylcyclohex-2-en-1-one
CID 2748361
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CID 100971522
6-methyl-6-phenyloxane-2,3,5-trione
CID 12840341
3-(methylamino)-2-phenylcyclohex-2-en-1-one
CID 131847395
(5R)-3-butyl-5-methyl-5-phenylfuran-2-one
CID 171726862
2-(2,5-diphenyl-1,3-oxazol-4-yl)-3-methylcyclohex-2-en-1-one
CID 162398173
(3aS,7aR)-6,7a-dimethyl-3-phenyl-3a,4-dihydro-1,3-benzoxazole-2,5-dione
CID 71663800
2-phenacyl-2,4-diphenyl-6,7-dihydro-5H-chromen-8-one
CID 3319467
2-methyl-3-phenyl-6,7-dihydro-5H-1-benzofuran-4-one
CID 102475018
2,6-dimethyl-2,4-diphenylchromene
CID 132534957
2,3-dimethyl-3-phenylcyclobutan-1-one
CID 131076191

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-phenyl-7,8-dihydro-6H-chromen-5-one?
The IUPAC name of 2,4-dimethyl-2-phenyl-7,8-dihydro-6H-chromen-5-one (CID 102262129) is 2,4-dimethyl-2-phenyl-7,8-dihydro-6H-chromen-5-one.
What is the SMILES notation for 2,4-dimethyl-2-phenyl-7,8-dihydro-6H-chromen-5-one?
The canonical SMILES for 2,4-dimethyl-2-phenyl-7,8-dihydro-6H-chromen-5-one is CC1=CC(C)(c2ccccc2)OC2=C1C(=O)CCC2.
What is the InChIKey of 2,4-dimethyl-2-phenyl-7,8-dihydro-6H-chromen-5-one?
The InChIKey is FUJOFMQFCJJGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-12-11-17(2,13-7-4-3-5-8-13)19-15-10-6-9-14(18)16(12)15/h3-5,7-8,11H,6,9-10H2,1-2H3.
What are the key properties of 2,4-dimethyl-2-phenyl-7,8-dihydro-6H-chromen-5-one?
2,4-dimethyl-2-phenyl-7,8-dihydro-6H-chromen-5-one has a molecular weight of 254.33 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-phenyl-7,8-dihydro-6H-chromen-5-one is sourced from PubChem (CID 102262129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).