1-[3-(3,4-dihydro-2H-chromen-8-yl)-4-fluorophenyl]ethanone

C17H15FO2 — CID 114746501

IUPAC1-[3-(3,4-dihydro-2H-chromen-8-yl)-4-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(F)c(-c2cccc3c2OCCC3)c1
InChIInChI=1S/C17H15FO2/c1-11(19)13-7-8-16(18)15(10-13)14-6-2-4-12-5-3-9-20-17(12)14/h2,4,6-8,10H,3,5,9H2,1H3
InChIKeyLWEZMNCQBGMOLF-UHFFFAOYSA-N
MW270.30 g/mol
LogP4.02
Rot. Bonds2

About 1-[3-(3,4-dihydro-2H-chromen-8-yl)-4-fluorophenyl]ethanone

1-[3-(3,4-dihydro-2H-chromen-8-yl)-4-fluorophenyl]ethanone (PubChem CID 114746501) has the molecular formula C17H15FO2 and a molecular weight of 270.30 g/mol. Its IUPAC name is 1-[3-(3,4-dihydro-2H-chromen-8-yl)-4-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[3-(3,4-dihydro-2H-chromen-8-yl)-4-fluorophenyl]ethanone
PubChem CID114746501
Molecular FormulaC17H15FO2
Molecular Weight270.30 g/mol
Exact Mass270.11
IUPAC Name1-[3-(3,4-dihydro-2H-chromen-8-yl)-4-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(F)c(-c2cccc3c2OCCC3)c1
InChIInChI=1S/C17H15FO2/c1-11(19)13-7-8-16(18)15(10-13)14-6-2-4-12-5-3-9-20-17(12)14/h2,4,6-8,10H,3,5,9H2,1H3
InChIKeyLWEZMNCQBGMOLF-UHFFFAOYSA-N
XLogP4.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3,4-dihydro-2H-chromen-8-yl)phenyl]ethanone
CID 114746496
3-(3,4-dihydro-2H-chromen-8-yl)-4-fluoroaniline
CID 114746463
8-(2-fluorophenyl)-3,4-dihydro-2H-chromene;methanamine
CID 143567573
1-[3-(3,4-dihydro-2H-chromen-8-yl)-4-fluorophenyl]-N-methylmethanamine
CID 114746624
1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 82599043
2-(3,4-dihydro-2H-chromen-8-yl)-5-methylbenzoic acid
CID 114746380
3-(3,4-dihydro-2H-chromen-8-yl)-5-methylbenzoic acid
CID 114746382
(4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 107996770
N-[[4-(3,4-dihydro-2H-chromen-8-yl)-3-fluorophenyl]methyl]ethanamine
CID 114746619
4-(3,4-dihydro-2H-chromen-8-yl)-2-fluoroaniline
CID 114746433
N-[[3-(2,3-dihydro-1-benzofuran-7-yl)-4-fluorophenyl]methyl]propan-2-amine
CID 114746537
(4-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 114744096

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dihydro-2H-chromen-8-yl)-4-fluorophenyl]ethanone?
The IUPAC name of 1-[3-(3,4-dihydro-2H-chromen-8-yl)-4-fluorophenyl]ethanone (CID 114746501) is 1-[3-(3,4-dihydro-2H-chromen-8-yl)-4-fluorophenyl]ethanone.
What is the SMILES notation for 1-[3-(3,4-dihydro-2H-chromen-8-yl)-4-fluorophenyl]ethanone?
The canonical SMILES for 1-[3-(3,4-dihydro-2H-chromen-8-yl)-4-fluorophenyl]ethanone is CC(=O)c1ccc(F)c(-c2cccc3c2OCCC3)c1.
What is the InChIKey of 1-[3-(3,4-dihydro-2H-chromen-8-yl)-4-fluorophenyl]ethanone?
The InChIKey is LWEZMNCQBGMOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO2/c1-11(19)13-7-8-16(18)15(10-13)14-6-2-4-12-5-3-9-20-17(12)14/h2,4,6-8,10H,3,5,9H2,1H3.
What are the key properties of 1-[3-(3,4-dihydro-2H-chromen-8-yl)-4-fluorophenyl]ethanone?
1-[3-(3,4-dihydro-2H-chromen-8-yl)-4-fluorophenyl]ethanone has a molecular weight of 270.30 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dihydro-2H-chromen-8-yl)-4-fluorophenyl]ethanone is sourced from PubChem (CID 114746501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).