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

C17H16ClFO2 — CID 115956664

IUPAC2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-5-methyl-2,3-dihydro-1-benzofuran
SMILESCc1ccc2c(c1)CC(COc1c(F)cccc1CCl)O2
InChIInChI=1S/C17H16ClFO2/c1-11-5-6-16-13(7-11)8-14(21-16)10-20-17-12(9-18)3-2-4-15(17)19/h2-7,14H,8-10H2,1H3
InChIKeyFGGYMDYZBMHTNC-UHFFFAOYSA-N
MW306.76 g/mol
LogP4.26
Rot. Bonds4

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

2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-5-methyl-2,3-dihydro-1-benzofuran (PubChem CID 115956664) has the molecular formula C17H16ClFO2 and a molecular weight of 306.76 g/mol. Its IUPAC name is 2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-5-methyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-5-methyl-2,3-dihydro-1-benzofuran
PubChem CID115956664
Molecular FormulaC17H16ClFO2
Molecular Weight306.76 g/mol
Exact Mass306.08
IUPAC Name2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-5-methyl-2,3-dihydro-1-benzofuran
SMILESCc1ccc2c(c1)CC(COc1c(F)cccc1CCl)O2
InChIInChI=1S/C17H16ClFO2/c1-11-5-6-16-13(7-11)8-14(21-16)10-20-17-12(9-18)3-2-4-15(17)19/h2-7,14H,8-10H2,1H3
InChIKeyFGGYMDYZBMHTNC-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-methylphenoxy]methyl]-5-fluoro-2,3-dihydro-1-benzofuran
CID 115956487
2-[(4-chloro-3-fluorophenoxy)methyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 82727713
3-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]benzaldehyde
CID 115955508
2-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-2,3-dihydro-1-benzofuran
CID 115956547
(2R)-2-(methoxymethyl)-5-methyl-2,3-dihydro-1-benzofuran
CID 58740913
2-[(3-iodophenoxy)methyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 66360407
2-(difluoromethoxymethyl)-5-methyl-2,3-dihydro-1-benzofuran
CID 145338313
2-[[2-(bromomethyl)-4-methylphenoxy]methyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 66360807
2-[(2-iodophenoxy)methyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 66360595
2-[[2-(bromomethyl)-3-chlorophenoxy]methyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 114320962
2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]oxolane
CID 112613634

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-5-methyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-5-methyl-2,3-dihydro-1-benzofuran (CID 115956664) is 2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-5-methyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-5-methyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-5-methyl-2,3-dihydro-1-benzofuran is Cc1ccc2c(c1)CC(COc1c(F)cccc1CCl)O2.
What is the InChIKey of 2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-5-methyl-2,3-dihydro-1-benzofuran?
The InChIKey is FGGYMDYZBMHTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFO2/c1-11-5-6-16-13(7-11)8-14(21-16)10-20-17-12(9-18)3-2-4-15(17)19/h2-7,14H,8-10H2,1H3.
What are the key properties of 2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-5-methyl-2,3-dihydro-1-benzofuran?
2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-5-methyl-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-fluorophenoxy]methyl]-5-methyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 115956664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).