3-iodo-4-methoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran

C15H15IO2 — CID 11674771

IUPAC3-iodo-4-methoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran
SMILESCOC1CCCc2oc(-c3ccccc3)c(I)c21
InChIInChI=1S/C15H15IO2/c1-17-11-8-5-9-12-13(11)14(16)15(18-12)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3
InChIKeyYEYJXUMGDHDBCN-UHFFFAOYSA-N
MW354.19 g/mol
LogP4.57
Rot. Bonds2

About 3-iodo-4-methoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran

3-iodo-4-methoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran (PubChem CID 11674771) has the molecular formula C15H15IO2 and a molecular weight of 354.19 g/mol. Its IUPAC name is 3-iodo-4-methoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran.

Molecular Properties

Compound Name3-iodo-4-methoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran
PubChem CID11674771
Molecular FormulaC15H15IO2
Molecular Weight354.19 g/mol
Exact Mass354.01
IUPAC Name3-iodo-4-methoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran
SMILESCOC1CCCc2oc(-c3ccccc3)c(I)c21
InChIInChI=1S/C15H15IO2/c1-17-11-8-5-9-12-13(11)14(16)15(18-12)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3
InChIKeyYEYJXUMGDHDBCN-UHFFFAOYSA-N
XLogP4.57
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 54.57
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

4-(4-Phenoxybutoxy)benzofuran
CID 42631366
6-Methoxy-3-phenyl-benzofuran
CID 5172700
4,6-Dimethoxybenzofuran
CID 91400161
2,3-Bis(2-methoxyphenyl)benzofuran
CID 44202244
4-[4-Methoxy-2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-3-yl]-2-methylbut-3-yn-2-ol
CID 53301527
1-[2-[4-Methoxy-2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-3-yl]ethynyl]cyclohexan-1-ol
CID 53301528
4-[4-Ethoxy-2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-3-yl]but-3-yn-1-ol
CID 53301529
Ethyl 4-acetyloxy-2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate
CID 53301532
2-(4-Methoxyphenyl)-3,9,12-trioxatricyclo[6.5.1.04,14]tetradeca-1,4(14)-dien-13-one
CID 53301538
2-(2,4-Dimethoxyphenyl)-5-phenylfuran
CID 145967482
4,6-Dimethoxy-3-phenyl-1-benzofuran
CID 15426184
4-Methoxy-3-phenyl-1-benzofuran
CID 67144819

Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-methoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran?
The IUPAC name of 3-iodo-4-methoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran (CID 11674771) is 3-iodo-4-methoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran.
What is the SMILES notation for 3-iodo-4-methoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran?
The canonical SMILES for 3-iodo-4-methoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran is COC1CCCc2oc(-c3ccccc3)c(I)c21.
What is the InChIKey of 3-iodo-4-methoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran?
The InChIKey is YEYJXUMGDHDBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IO2/c1-17-11-8-5-9-12-13(11)14(16)15(18-12)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3.
What are the key properties of 3-iodo-4-methoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran?
3-iodo-4-methoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran has a molecular weight of 354.19 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-methoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran is sourced from PubChem (CID 11674771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).