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

C18H17FO2 — CID 104769760

IUPAC2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-fluoro-3-methylphenyl)ethanone
SMILESCc1cc(C(=O)CC2CCOc3ccccc32)ccc1F
InChIInChI=1S/C18H17FO2/c1-12-10-14(6-7-16(12)19)17(20)11-13-8-9-21-18-5-3-2-4-15(13)18/h2-7,10,13H,8-9,11H2,1H3
InChIKeyLDYHNLGYHCSKAJ-UHFFFAOYSA-N
MW284.33 g/mol
LogP4.27
Rot. Bonds3

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

2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-fluoro-3-methylphenyl)ethanone (PubChem CID 104769760) has the molecular formula C18H17FO2 and a molecular weight of 284.33 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-fluoro-3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-fluoro-3-methylphenyl)ethanone
PubChem CID104769760
Molecular FormulaC18H17FO2
Molecular Weight284.33 g/mol
Exact Mass284.12
IUPAC Name2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-fluoro-3-methylphenyl)ethanone
SMILESCc1cc(C(=O)CC2CCOc3ccccc32)ccc1F
InChIInChI=1S/C18H17FO2/c1-12-10-14(6-7-16(12)19)17(20)11-13-8-9-21-18-5-3-2-4-15(13)18/h2-7,10,13H,8-9,11H2,1H3
InChIKeyLDYHNLGYHCSKAJ-UHFFFAOYSA-N
XLogP4.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanone
CID 115798746
1-(3-bromo-4-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanone
CID 115798807
2-(3,4-dihydro-2H-chromen-4-yl)-1-phenylethanone
CID 104769745
2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-fluoro-4-methylphenyl)ethanone
CID 115798883
2-(3,4-dihydro-2H-chromen-4-yl)-1-(2,4-dimethylphenyl)ethanone
CID 115798919
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
1-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)propan-2-one
CID 104769876
1-(3,4-dihydro-2H-chromen-4-yl)pentan-2-one
CID 104769754
2-cyclohexyl-1-(4-fluoro-3-methylphenyl)ethanone
CID 55096170
1-(2,6-dichlorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanone
CID 115798791
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-fluoro-4-methylbenzamide
CID 9091658
2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylfuran-2-yl)ethanone
CID 115798762

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-fluoro-3-methylphenyl)ethanone?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-fluoro-3-methylphenyl)ethanone (CID 104769760) is 2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-fluoro-3-methylphenyl)ethanone.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-fluoro-3-methylphenyl)ethanone?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-fluoro-3-methylphenyl)ethanone is Cc1cc(C(=O)CC2CCOc3ccccc32)ccc1F.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-fluoro-3-methylphenyl)ethanone?
The InChIKey is LDYHNLGYHCSKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FO2/c1-12-10-14(6-7-16(12)19)17(20)11-13-8-9-21-18-5-3-2-4-15(13)18/h2-7,10,13H,8-9,11H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-fluoro-3-methylphenyl)ethanone?
2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-fluoro-3-methylphenyl)ethanone has a molecular weight of 284.33 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-fluoro-3-methylphenyl)ethanone is sourced from PubChem (CID 104769760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).