2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran

C17H16ClFO — CID 65297293

IUPAC2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESCc1cc(C(Cl)C2Cc3ccccc3O2)cc(C)c1F
InChIInChI=1S/C17H16ClFO/c1-10-7-13(8-11(2)17(10)19)16(18)15-9-12-5-3-4-6-14(12)20-15/h3-8,15-16H,9H2,1-2H3
InChIKeyYHXGRHXRUBFEOY-UHFFFAOYSA-N
MW290.77 g/mol
LogP4.73
Rot. Bonds2

About 2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran

2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran (PubChem CID 65297293) has the molecular formula C17H16ClFO and a molecular weight of 290.77 g/mol. Its IUPAC name is 2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran
PubChem CID65297293
Molecular FormulaC17H16ClFO
Molecular Weight290.77 g/mol
Exact Mass290.09
IUPAC Name2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESCc1cc(C(Cl)C2Cc3ccccc3O2)cc(C)c1F
InChIInChI=1S/C17H16ClFO/c1-10-7-13(8-11(2)17(10)19)16(18)15-9-12-5-3-4-6-14(12)20-15/h3-8,15-16H,9H2,1-2H3
InChIKeyYHXGRHXRUBFEOY-UHFFFAOYSA-N
XLogP4.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 54.73
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-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 79747393
2-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 55198304
2-[chloro-(2,5-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63434026
2-[(4-butan-2-ylphenyl)-chloromethyl]-2,3-dihydro-1-benzofuran
CID 63430500
2-[(5-bromo-4-methylthiophen-2-yl)-chloromethyl]-2,3-dihydro-1-benzofuran
CID 79991267
2-[chloro(2,3-dihydro-1-benzofuran-5-yl)methyl]-2,3-dihydro-1-benzofuran
CID 61086355
2-[bromo-(4-methoxy-3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63442838
2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-5-methyloxolane
CID 81327195
2,3-dihydro-1-benzofuran-2-yl-(4-methoxy-3,5-dimethylphenyl)methanol
CID 83044772
2-[bromo-(2,4-difluoro-5-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 79730864
2-[(2-bromo-4-methoxyphenyl)-chloromethyl]-2,3-dihydro-1-benzofuran
CID 63435447
[(2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]hydrazine
CID 105262887

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran (CID 65297293) is 2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran is Cc1cc(C(Cl)C2Cc3ccccc3O2)cc(C)c1F.
What is the InChIKey of 2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran?
The InChIKey is YHXGRHXRUBFEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFO/c1-10-7-13(8-11(2)17(10)19)16(18)15-9-12-5-3-4-6-14(12)20-15/h3-8,15-16H,9H2,1-2H3.
What are the key properties of 2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran?
2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran has a molecular weight of 290.77 g/mol, XLogP of 4.73, 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-3,5-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 65297293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).