3,4-dihydro-2H-chromen-4-yl-(3-fluoro-4-methoxyphenyl)methanone

C17H15FO3 — CID 63708813

IUPAC3,4-dihydro-2H-chromen-4-yl-(3-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCOc3ccccc32)cc1F
InChIInChI=1S/C17H15FO3/c1-20-16-7-6-11(10-14(16)18)17(19)13-8-9-21-15-5-3-2-4-12(13)15/h2-7,10,13H,8-9H2,1H3
InChIKeyONLAYKSWAGOQFG-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.58
Rot. Bonds3

About 3,4-dihydro-2H-chromen-4-yl-(3-fluoro-4-methoxyphenyl)methanone

3,4-dihydro-2H-chromen-4-yl-(3-fluoro-4-methoxyphenyl)methanone (PubChem CID 63708813) has the molecular formula C17H15FO3 and a molecular weight of 286.30 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-4-yl-(3-fluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-4-yl-(3-fluoro-4-methoxyphenyl)methanone
PubChem CID63708813
Molecular FormulaC17H15FO3
Molecular Weight286.30 g/mol
Exact Mass286.10
IUPAC Name3,4-dihydro-2H-chromen-4-yl-(3-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCOc3ccccc32)cc1F
InChIInChI=1S/C17H15FO3/c1-20-16-7-6-11(10-14(16)18)17(19)13-8-9-21-15-5-3-2-4-12(13)15/h2-7,10,13H,8-9H2,1H3
InChIKeyONLAYKSWAGOQFG-UHFFFAOYSA-N
XLogP3.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-chromen-4-yl-(2-methoxy-5-methylphenyl)methanone
CID 63709183
3,4-dihydro-2H-chromen-4-yl-(5-iodo-2-methoxyphenyl)methanone
CID 63709913
1,3-benzodioxol-5-yl(3,4-dihydro-2H-chromen-4-yl)methanone
CID 63709213
3,4-dihydro-2H-chromen-4-yl-(5-methylthiophen-3-yl)methanone
CID 65407582
N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 110648760
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 40938536
3-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methoxybenzamide
CID 8819799
3,4-dihydro-2H-chromen-4-yl-(3-nitrophenyl)methanone
CID 63709388
(3-fluoro-4-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone
CID 116562003
(3-fluoro-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66476859
(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 63708637
(3-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568282

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-4-yl-(3-fluoro-4-methoxyphenyl)methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-4-yl-(3-fluoro-4-methoxyphenyl)methanone (CID 63708813) is 3,4-dihydro-2H-chromen-4-yl-(3-fluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-4-yl-(3-fluoro-4-methoxyphenyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-4-yl-(3-fluoro-4-methoxyphenyl)methanone is COc1ccc(C(=O)C2CCOc3ccccc32)cc1F.
What is the InChIKey of 3,4-dihydro-2H-chromen-4-yl-(3-fluoro-4-methoxyphenyl)methanone?
The InChIKey is ONLAYKSWAGOQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO3/c1-20-16-7-6-11(10-14(16)18)17(19)13-8-9-21-15-5-3-2-4-12(13)15/h2-7,10,13H,8-9H2,1H3.
What are the key properties of 3,4-dihydro-2H-chromen-4-yl-(3-fluoro-4-methoxyphenyl)methanone?
3,4-dihydro-2H-chromen-4-yl-(3-fluoro-4-methoxyphenyl)methanone has a molecular weight of 286.30 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-4-yl-(3-fluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 63708813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).