2-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-2,3-dihydro-1-benzofuran

C16H14Cl2O2 — CID 115956547

IUPAC2-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-2,3-dihydro-1-benzofuran
SMILESClCc1cccc(Cl)c1OCC1Cc2ccccc2O1
InChIInChI=1S/C16H14Cl2O2/c17-9-12-5-3-6-14(18)16(12)19-10-13-8-11-4-1-2-7-15(11)20-13/h1-7,13H,8-10H2
InChIKeyIFJNMWXBTRZGTN-UHFFFAOYSA-N
MW309.19 g/mol
LogP4.46
Rot. Bonds4

About 2-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-2,3-dihydro-1-benzofuran

2-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-2,3-dihydro-1-benzofuran (PubChem CID 115956547) has the molecular formula C16H14Cl2O2 and a molecular weight of 309.19 g/mol. Its IUPAC name is 2-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-2,3-dihydro-1-benzofuran
PubChem CID115956547
Molecular FormulaC16H14Cl2O2
Molecular Weight309.19 g/mol
Exact Mass308.04
IUPAC Name2-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-2,3-dihydro-1-benzofuran
SMILESClCc1cccc(Cl)c1OCC1Cc2ccccc2O1
InChIInChI=1S/C16H14Cl2O2/c17-9-12-5-3-6-14(18)16(12)19-10-13-8-11-4-1-2-7-15(11)20-13/h1-7,13H,8-10H2
InChIKeyIFJNMWXBTRZGTN-UHFFFAOYSA-N
XLogP4.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 54.46
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-chloro-6-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde
CID 66364551
2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-5-fluoro-2,3-dihydro-1-benzofuran
CID 115956487
3,5-dichloro-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde
CID 66364358
4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-3,5-dimethylaniline
CID 66348760
3-chloro-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]aniline
CID 107715648
2-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
CID 66365211
[4-chloro-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanamine
CID 114322334
2-(2-chloroethyl)-2,3-dihydro-1-benzofuran
CID 141218488
2-(4-chlorobutyl)-2,3-dihydro-1-benzofuran
CID 66363280
N-(2-chlorophenyl)-4-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methoxy]benzamide
CID 141114125
2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzonitrile
CID 66365332

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-2,3-dihydro-1-benzofuran (CID 115956547) is 2-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-2,3-dihydro-1-benzofuran is ClCc1cccc(Cl)c1OCC1Cc2ccccc2O1.
What is the InChIKey of 2-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-2,3-dihydro-1-benzofuran?
The InChIKey is IFJNMWXBTRZGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O2/c17-9-12-5-3-6-14(18)16(12)19-10-13-8-11-4-1-2-7-15(11)20-13/h1-7,13H,8-10H2.
What are the key properties of 2-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-2,3-dihydro-1-benzofuran?
2-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-2,3-dihydro-1-benzofuran has a molecular weight of 309.19 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 115956547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).