(4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone

C16H12ClFO2 — CID 107996770

IUPAC(4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
SMILESO=C(c1ccc(Cl)c(F)c1)c1cccc2c1OCCC2
InChIInChI=1S/C16H12ClFO2/c17-13-7-6-11(9-14(13)18)15(19)12-5-1-3-10-4-2-8-20-16(10)12/h1,3,5-7,9H,2,4,8H2
InChIKeyJSYQSEIRGHZSTL-UHFFFAOYSA-N
MW290.72 g/mol
LogP4.04
Rot. Bonds2

About (4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone

(4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone (PubChem CID 107996770) has the molecular formula C16H12ClFO2 and a molecular weight of 290.72 g/mol. Its IUPAC name is (4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone.

Molecular Properties

Compound Name(4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
PubChem CID107996770
Molecular FormulaC16H12ClFO2
Molecular Weight290.72 g/mol
Exact Mass290.05
IUPAC Name(4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
SMILESO=C(c1ccc(Cl)c(F)c1)c1cccc2c1OCCC2
InChIInChI=1S/C16H12ClFO2/c17-13-7-6-11(9-14(13)18)15(19)12-5-1-3-10-4-2-8-20-16(10)12/h1,3,5-7,9H,2,4,8H2
InChIKeyJSYQSEIRGHZSTL-UHFFFAOYSA-N
XLogP4.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.72
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 107996809
(4-amino-3-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 114747933
(4-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 114744096
3,4-dihydro-2H-chromen-8-yl-(2,4,6-trifluorophenyl)methanone
CID 115811189
(5-chloro-2-methylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 115811210
(2-chlorofuran-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 106691322
3,4-dihydro-2H-chromen-8-yl-(6-methyl-3-pyridinyl)methanone
CID 105133567
3,4-dihydro-2H-chromen-8-yl-(2-fluoro-4-methoxyphenyl)methanone
CID 114744317
2,3-dihydro-1-benzofuran-7-yl-(4-fluoro-3-methoxyphenyl)methanone
CID 115814405
(3-bromo-5-methylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 115811284
1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 82599043
(4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 107995512

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone?
The IUPAC name of (4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone (CID 107996770) is (4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone.
What is the SMILES notation for (4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone?
The canonical SMILES for (4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone is O=C(c1ccc(Cl)c(F)c1)c1cccc2c1OCCC2.
What is the InChIKey of (4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone?
The InChIKey is JSYQSEIRGHZSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFO2/c17-13-7-6-11(9-14(13)18)15(19)12-5-1-3-10-4-2-8-20-16(10)12/h1,3,5-7,9H,2,4,8H2.
What are the key properties of (4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone?
(4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone has a molecular weight of 290.72 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone is sourced from PubChem (CID 107996770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).