2-[(3-iodophenoxy)methyl]-5-methyl-2,3-dihydro-1-benzofuran

C16H15IO2 — CID 66360407

IUPAC2-[(3-iodophenoxy)methyl]-5-methyl-2,3-dihydro-1-benzofuran
SMILESCc1ccc2c(c1)CC(COc1cccc(I)c1)O2
InChIInChI=1S/C16H15IO2/c1-11-5-6-16-12(7-11)8-15(19-16)10-18-14-4-2-3-13(17)9-14/h2-7,9,15H,8,10H2,1H3
InChIKeyWOAIILNCMTXZRY-UHFFFAOYSA-N
MW366.20 g/mol
LogP3.98
Rot. Bonds3

About 2-[(3-iodophenoxy)methyl]-5-methyl-2,3-dihydro-1-benzofuran

2-[(3-iodophenoxy)methyl]-5-methyl-2,3-dihydro-1-benzofuran (PubChem CID 66360407) has the molecular formula C16H15IO2 and a molecular weight of 366.20 g/mol. Its IUPAC name is 2-[(3-iodophenoxy)methyl]-5-methyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-[(3-iodophenoxy)methyl]-5-methyl-2,3-dihydro-1-benzofuran
PubChem CID66360407
Molecular FormulaC16H15IO2
Molecular Weight366.20 g/mol
Exact Mass366.01
IUPAC Name2-[(3-iodophenoxy)methyl]-5-methyl-2,3-dihydro-1-benzofuran
SMILESCc1ccc2c(c1)CC(COc1cccc(I)c1)O2
InChIInChI=1S/C16H15IO2/c1-11-5-6-16-12(7-11)8-15(19-16)10-18-14-4-2-3-13(17)9-14/h2-7,9,15H,8,10H2,1H3
InChIKeyWOAIILNCMTXZRY-UHFFFAOYSA-N
XLogP3.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.20
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-iodophenoxy)methyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 66360595
2-[(4-chloro-3-fluorophenoxy)methyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 82727713
(2R)-2-(methoxymethyl)-5-methyl-2,3-dihydro-1-benzofuran
CID 58740913
3-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]benzaldehyde
CID 115955508
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
(1R)-1-[2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]phenyl]ethanol
CID 79036087
2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 115956664
2-[[2-(bromomethyl)-3-chlorophenoxy]methyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 114320962
(2S)-2-[(3,5-dimethylphenoxy)methyl]-5-fluoro-2,3-dihydro-1-benzofuran
CID 141114126
(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

Frequently Asked Questions

What is the IUPAC name of 2-[(3-iodophenoxy)methyl]-5-methyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-[(3-iodophenoxy)methyl]-5-methyl-2,3-dihydro-1-benzofuran (CID 66360407) is 2-[(3-iodophenoxy)methyl]-5-methyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-[(3-iodophenoxy)methyl]-5-methyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-[(3-iodophenoxy)methyl]-5-methyl-2,3-dihydro-1-benzofuran is Cc1ccc2c(c1)CC(COc1cccc(I)c1)O2.
What is the InChIKey of 2-[(3-iodophenoxy)methyl]-5-methyl-2,3-dihydro-1-benzofuran?
The InChIKey is WOAIILNCMTXZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IO2/c1-11-5-6-16-12(7-11)8-15(19-16)10-18-14-4-2-3-13(17)9-14/h2-7,9,15H,8,10H2,1H3.
What are the key properties of 2-[(3-iodophenoxy)methyl]-5-methyl-2,3-dihydro-1-benzofuran?
2-[(3-iodophenoxy)methyl]-5-methyl-2,3-dihydro-1-benzofuran has a molecular weight of 366.20 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-iodophenoxy)methyl]-5-methyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 66360407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).