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

C17H14ClFO2 — CID 65408732

IUPAC2-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanone
SMILESO=C(Cc1ccc(F)cc1Cl)C1CCOc2ccccc21
InChIInChI=1S/C17H14ClFO2/c18-15-10-12(19)6-5-11(15)9-16(20)13-7-8-21-17-4-2-1-3-14(13)17/h1-6,10,13H,7-9H2
InChIKeyWQOADUWXYGYPNF-UHFFFAOYSA-N
MW304.75 g/mol
LogP4.16
Rot. Bonds3

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

2-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanone (PubChem CID 65408732) has the molecular formula C17H14ClFO2 and a molecular weight of 304.75 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanone
PubChem CID65408732
Molecular FormulaC17H14ClFO2
Molecular Weight304.75 g/mol
Exact Mass304.07
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanone
SMILESO=C(Cc1ccc(F)cc1Cl)C1CCOc2ccccc21
InChIInChI=1S/C17H14ClFO2/c18-15-10-12(19)6-5-11(15)9-16(20)13-7-8-21-17-4-2-1-3-14(13)17/h1-6,10,13H,7-9H2
InChIKeyWQOADUWXYGYPNF-UHFFFAOYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 65409768
2-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone
CID 65350801
2-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-yl)ethanone
CID 63709217
2-(3-bromophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanone
CID 65408731
N-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 110648124
1-(3,4-dihydro-2H-chromen-4-yl)-2-(5-ethylthiophen-2-yl)ethanone
CID 65407954
[2-(3,4-dihydro-2H-chromen-4-ylamino)-4-fluorophenyl]methanesulfinic acid
CID 174539898
N-(4-fluoro-2-iodophenyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 79760288
[(4S)-3,4-dihydro-2H-chromen-4-yl]-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 97053753
1-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethylpentan-1-one
CID 65409112
(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 63708637
3-(2-chloro-4-fluorophenyl)-1-[(5S,8R)-8-hydroxy-5,6,7,8-tetrahydroquinolin-5-yl]propan-1-one
CID 161496659

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanone?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanone (CID 65408732) is 2-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanone?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanone is O=C(Cc1ccc(F)cc1Cl)C1CCOc2ccccc21.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanone?
The InChIKey is WQOADUWXYGYPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFO2/c18-15-10-12(19)6-5-11(15)9-16(20)13-7-8-21-17-4-2-1-3-14(13)17/h1-6,10,13H,7-9H2.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanone?
2-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanone has a molecular weight of 304.75 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanone is sourced from PubChem (CID 65408732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).