3,4-dihydro-2H-chromen-8-yl-(2-fluoro-4-methoxyphenyl)methanone

C17H15FO3 — CID 114744317

IUPAC3,4-dihydro-2H-chromen-8-yl-(2-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cccc3c2OCCC3)c(F)c1
InChIInChI=1S/C17H15FO3/c1-20-12-7-8-13(15(18)10-12)16(19)14-6-2-4-11-5-3-9-21-17(11)14/h2,4,6-8,10H,3,5,9H2,1H3
InChIKeyZUZRGCXKXSBMSU-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.39
Rot. Bonds3

About 3,4-dihydro-2H-chromen-8-yl-(2-fluoro-4-methoxyphenyl)methanone

3,4-dihydro-2H-chromen-8-yl-(2-fluoro-4-methoxyphenyl)methanone (PubChem CID 114744317) has the molecular formula C17H15FO3 and a molecular weight of 286.30 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-8-yl-(2-fluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-8-yl-(2-fluoro-4-methoxyphenyl)methanone
PubChem CID114744317
Molecular FormulaC17H15FO3
Molecular Weight286.30 g/mol
Exact Mass286.10
IUPAC Name3,4-dihydro-2H-chromen-8-yl-(2-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cccc3c2OCCC3)c(F)c1
InChIInChI=1S/C17H15FO3/c1-20-12-7-8-13(15(18)10-12)16(19)14-6-2-4-11-5-3-9-21-17(11)14/h2,4,6-8,10H,3,5,9H2,1H3
InChIKeyZUZRGCXKXSBMSU-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 114744096
2,3-dihydro-1-benzofuran-7-yl-(2,5-dimethoxyphenyl)methanone
CID 115814359
3,4-dihydro-2H-chromen-8-yl-(2,4,6-trifluorophenyl)methanone
CID 115811189
3,4-dihydro-2H-chromen-8-yl-(6-methoxypyridazin-3-yl)methanone
CID 103373276
(4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 107996770
2,3-dihydro-1-benzofuran-7-yl-(4-fluoro-3-methoxyphenyl)methanone
CID 115814405
1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 82599043
3,4-dihydro-2H-chromen-8-yl-(2,6-dimethyl-3-pyridinyl)methanone
CID 105133622
(2-fluoro-4-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 43561172
(3-methoxyphenyl)-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)methanone
CID 82251660
3-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-1-(2-fluoro-4-methoxyphenyl)prop-2-en-1-one
CID 103598024
(3-amino-2-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 112580779

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-8-yl-(2-fluoro-4-methoxyphenyl)methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-8-yl-(2-fluoro-4-methoxyphenyl)methanone (CID 114744317) is 3,4-dihydro-2H-chromen-8-yl-(2-fluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-8-yl-(2-fluoro-4-methoxyphenyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-8-yl-(2-fluoro-4-methoxyphenyl)methanone is COc1ccc(C(=O)c2cccc3c2OCCC3)c(F)c1.
What is the InChIKey of 3,4-dihydro-2H-chromen-8-yl-(2-fluoro-4-methoxyphenyl)methanone?
The InChIKey is ZUZRGCXKXSBMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO3/c1-20-12-7-8-13(15(18)10-12)16(19)14-6-2-4-11-5-3-9-21-17(11)14/h2,4,6-8,10H,3,5,9H2,1H3.
What are the key properties of 3,4-dihydro-2H-chromen-8-yl-(2-fluoro-4-methoxyphenyl)methanone?
3,4-dihydro-2H-chromen-8-yl-(2-fluoro-4-methoxyphenyl)methanone has a molecular weight of 286.30 g/mol, XLogP of 3.39, 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-8-yl-(2-fluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 114744317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).