2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-5-fluoro-2,3-dihydro-1-benzofuran

C17H16ClFO2 — CID 115956487

IUPAC2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-5-fluoro-2,3-dihydro-1-benzofuran
SMILESCc1cccc(CCl)c1OCC1Cc2cc(F)ccc2O1
InChIInChI=1S/C17H16ClFO2/c1-11-3-2-4-12(9-18)17(11)20-10-15-8-13-7-14(19)5-6-16(13)21-15/h2-7,15H,8-10H2,1H3
InChIKeyLPYLHYDWJYAZIN-UHFFFAOYSA-N
MW306.76 g/mol
LogP4.26
Rot. Bonds4

About 2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-5-fluoro-2,3-dihydro-1-benzofuran

2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-5-fluoro-2,3-dihydro-1-benzofuran (PubChem CID 115956487) has the molecular formula C17H16ClFO2 and a molecular weight of 306.76 g/mol. Its IUPAC name is 2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-5-fluoro-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-5-fluoro-2,3-dihydro-1-benzofuran
PubChem CID115956487
Molecular FormulaC17H16ClFO2
Molecular Weight306.76 g/mol
Exact Mass306.08
IUPAC Name2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-5-fluoro-2,3-dihydro-1-benzofuran
SMILESCc1cccc(CCl)c1OCC1Cc2cc(F)ccc2O1
InChIInChI=1S/C17H16ClFO2/c1-11-3-2-4-12(9-18)17(11)20-10-15-8-13-7-14(19)5-6-16(13)21-15/h2-7,15H,8-10H2,1H3
InChIKeyLPYLHYDWJYAZIN-UHFFFAOYSA-N
XLogP4.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-5-fluoro-2,3-dihydro-1-benzofuran
CID 115956641
2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 115956664
[2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]phenyl]methanol
CID 66364718
3-chloro-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]aniline
CID 107715648
(2S)-2-[(3,5-dimethylphenoxy)methyl]-5-fluoro-2,3-dihydro-1-benzofuran
CID 141114126
5-fluoro-2-[(2-fluorophenoxy)methyl]-2,3-dihydro-1-benzofuran
CID 66361307
2-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-2,3-dihydro-1-benzofuran
CID 115956547
(1S)-1-[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]phenyl]ethanamine
CID 66363116
1-[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]phenyl]ethanamine
CID 66365450
3-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]benzaldehyde
CID 115955508
2-[2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]aniline
CID 102902173
[(2R)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 92670115

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-5-fluoro-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-5-fluoro-2,3-dihydro-1-benzofuran (CID 115956487) is 2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-5-fluoro-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-5-fluoro-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-5-fluoro-2,3-dihydro-1-benzofuran is Cc1cccc(CCl)c1OCC1Cc2cc(F)ccc2O1.
What is the InChIKey of 2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-5-fluoro-2,3-dihydro-1-benzofuran?
The InChIKey is LPYLHYDWJYAZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFO2/c1-11-3-2-4-12(9-18)17(11)20-10-15-8-13-7-14(19)5-6-16(13)21-15/h2-7,15H,8-10H2,1H3.
What are the key properties of 2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-5-fluoro-2,3-dihydro-1-benzofuran?
2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-5-fluoro-2,3-dihydro-1-benzofuran has a molecular weight of 306.76 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-5-fluoro-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 115956487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).