(3-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone

C15H10ClFO2 — CID 82875088

IUPAC(3-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
SMILESO=C(c1ccc(F)c(Cl)c1)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H10ClFO2/c16-12-8-11(1-3-13(12)17)15(18)10-2-4-14-9(7-10)5-6-19-14/h1-4,7-8H,5-6H2
InChIKeyOLLLMXIUCOSZEE-UHFFFAOYSA-N
MW276.69 g/mol
LogP3.64
Rot. Bonds2

About (3-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone

(3-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone (PubChem CID 82875088) has the molecular formula C15H10ClFO2 and a molecular weight of 276.69 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
PubChem CID82875088
Molecular FormulaC15H10ClFO2
Molecular Weight276.69 g/mol
Exact Mass276.04
IUPAC Name(3-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
SMILESO=C(c1ccc(F)c(Cl)c1)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H10ClFO2/c16-12-8-11(1-3-13(12)17)15(18)10-2-4-14-9(7-10)5-6-19-14/h1-4,7-8H,5-6H2
InChIKeyOLLLMXIUCOSZEE-UHFFFAOYSA-N
XLogP3.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.69
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-4-fluorophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
CID 63093813
(2-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43160534
(3-amino-2,6-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 79773139
bis(3-chloro-4-fluorophenyl)methanone
CID 2740703
(3-bromo-2,6-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 106944382
1,3-benzodioxol-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43338483
2,3-dihydro-1-benzofuran-5-yl-(2-fluoro-6-methoxyphenyl)methanone
CID 65434765
3,4-dihydro-2H-chromen-6-yl-(3,4,5-trifluorophenyl)methanone
CID 63187549
2,3-dihydro-1-benzofuran-5-yl-(4-fluoro-2,6-dimethylphenyl)methanone
CID 106877027
(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43160544
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-3-yl)methanone
CID 114819434

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone?
The IUPAC name of (3-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone (CID 82875088) is (3-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone.
What is the SMILES notation for (3-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone?
The canonical SMILES for (3-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone is O=C(c1ccc(F)c(Cl)c1)c1ccc2c(c1)CCO2.
What is the InChIKey of (3-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone?
The InChIKey is OLLLMXIUCOSZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFO2/c16-12-8-11(1-3-13(12)17)15(18)10-2-4-14-9(7-10)5-6-19-14/h1-4,7-8H,5-6H2.
What are the key properties of (3-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone?
(3-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone has a molecular weight of 276.69 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone is sourced from PubChem (CID 82875088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).