2-[chloro-(4-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran

C16H14ClFO — CID 79747393

IUPAC2-[chloro-(4-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESCc1cc(C(Cl)C2Cc3ccccc3O2)ccc1F
InChIInChI=1S/C16H14ClFO/c1-10-8-12(6-7-13(10)18)16(17)15-9-11-4-2-3-5-14(11)19-15/h2-8,15-16H,9H2,1H3
InChIKeyGFZFEFWNGPZEBA-UHFFFAOYSA-N
MW276.74 g/mol
LogP4.42
Rot. Bonds2

About 2-[chloro-(4-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran

2-[chloro-(4-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran (PubChem CID 79747393) has the molecular formula C16H14ClFO and a molecular weight of 276.74 g/mol. Its IUPAC name is 2-[chloro-(4-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-[chloro-(4-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
PubChem CID79747393
Molecular FormulaC16H14ClFO
Molecular Weight276.74 g/mol
Exact Mass276.07
IUPAC Name2-[chloro-(4-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESCc1cc(C(Cl)C2Cc3ccccc3O2)ccc1F
InChIInChI=1S/C16H14ClFO/c1-10-8-12(6-7-13(10)18)16(17)15-9-11-4-2-3-5-14(11)19-15/h2-8,15-16H,9H2,1H3
InChIKeyGFZFEFWNGPZEBA-UHFFFAOYSA-N
XLogP4.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.74
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 65297293
2-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 55198304
2-[chloro(2,3-dihydro-1-benzofuran-5-yl)methyl]-2,3-dihydro-1-benzofuran
CID 61086355
2-[(4-butan-2-ylphenyl)-chloromethyl]-2,3-dihydro-1-benzofuran
CID 63430500
2-[chloro-(2,5-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63434026
2-[(5-bromo-4-methylthiophen-2-yl)-chloromethyl]-2,3-dihydro-1-benzofuran
CID 79991267
1-(3-bromo-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine
CID 79746928
2,3-dihydro-1H-inden-2-yl-(4-fluoro-3-methylphenyl)methanamine
CID 65411297
2-[bromo-(4-methoxy-3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63442838
[(2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]hydrazine
CID 105262887
2,3-dihydro-1-benzofuran-2-yl-(4-methoxy-3,5-dimethylphenyl)methanol
CID 83044772
(2,5-difluorophenyl)-(2,3-dihydro-1-benzofuran-2-yl)methanol
CID 61100439

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(4-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-[chloro-(4-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran (CID 79747393) is 2-[chloro-(4-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-[chloro-(4-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-[chloro-(4-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran is Cc1cc(C(Cl)C2Cc3ccccc3O2)ccc1F.
What is the InChIKey of 2-[chloro-(4-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran?
The InChIKey is GFZFEFWNGPZEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO/c1-10-8-12(6-7-13(10)18)16(17)15-9-11-4-2-3-5-14(11)19-15/h2-8,15-16H,9H2,1H3.
What are the key properties of 2-[chloro-(4-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran?
2-[chloro-(4-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran has a molecular weight of 276.74 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(4-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 79747393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).