1-(3,4-dihydro-2H-chromen-3-yl)-2-(3,4-dimethylphenyl)ethanone

C19H20O2 — CID 65408168

IUPAC1-(3,4-dihydro-2H-chromen-3-yl)-2-(3,4-dimethylphenyl)ethanone
SMILESCc1ccc(CC(=O)C2COc3ccccc3C2)cc1C
InChIInChI=1S/C19H20O2/c1-13-7-8-15(9-14(13)2)10-18(20)17-11-16-5-3-4-6-19(16)21-12-17/h3-9,17H,10-12H2,1-2H3
InChIKeyZFBAAAAUQCNGAV-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.67
Rot. Bonds3

About 1-(3,4-dihydro-2H-chromen-3-yl)-2-(3,4-dimethylphenyl)ethanone

1-(3,4-dihydro-2H-chromen-3-yl)-2-(3,4-dimethylphenyl)ethanone (PubChem CID 65408168) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-3-yl)-2-(3,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-3-yl)-2-(3,4-dimethylphenyl)ethanone
PubChem CID65408168
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name1-(3,4-dihydro-2H-chromen-3-yl)-2-(3,4-dimethylphenyl)ethanone
SMILESCc1ccc(CC(=O)C2COc3ccccc3C2)cc1C
InChIInChI=1S/C19H20O2/c1-13-7-8-15(9-14(13)2)10-18(20)17-11-16-5-3-4-6-19(16)21-12-17/h3-9,17H,10-12H2,1-2H3
InChIKeyZFBAAAAUQCNGAV-UHFFFAOYSA-N
XLogP3.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-3-yl)-2-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]ethanone
CID 165108124
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,4-dimethylphenyl)ethanone
CID 65350959
2-(5-bromo-3-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanone
CID 104799040
[2-(3,4-dimethylphenyl)-2-oxoethyl] (3S)-3,4-dihydro-2H-chromene-3-carboxylate
CID 9381608
N-[(4-fluoro-3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 46674166
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3,4-dimethylphenyl)ethanone
CID 64986764
3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanone
CID 65409325
3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408
1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 65407021
[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 3,4-dihydro-2H-chromene-3-carboxylate
CID 46638839
1-(3,4-dihydro-2H-chromen-3-yl)-2-[4-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)phenyl]ethanone
CID 165065499
1-(3,4-dihydro-2H-chromen-3-yl)hex-4-yn-1-one
CID 104803319

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-2-(3,4-dimethylphenyl)ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-2-(3,4-dimethylphenyl)ethanone (CID 65408168) is 1-(3,4-dihydro-2H-chromen-3-yl)-2-(3,4-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-3-yl)-2-(3,4-dimethylphenyl)ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-3-yl)-2-(3,4-dimethylphenyl)ethanone is Cc1ccc(CC(=O)C2COc3ccccc3C2)cc1C.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-3-yl)-2-(3,4-dimethylphenyl)ethanone?
The InChIKey is ZFBAAAAUQCNGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-13-7-8-15(9-14(13)2)10-18(20)17-11-16-5-3-4-6-19(16)21-12-17/h3-9,17H,10-12H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-3-yl)-2-(3,4-dimethylphenyl)ethanone?
1-(3,4-dihydro-2H-chromen-3-yl)-2-(3,4-dimethylphenyl)ethanone has a molecular weight of 280.37 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-3-yl)-2-(3,4-dimethylphenyl)ethanone is sourced from PubChem (CID 65408168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).