3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-iodophenyl)propan-1-one

C17H15IO2 — CID 114974271

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-iodophenyl)propan-1-one
SMILESO=C(CCc1ccc2c(c1)CCO2)c1cccc(I)c1
InChIInChI=1S/C17H15IO2/c18-15-3-1-2-13(11-15)16(19)6-4-12-5-7-17-14(10-12)8-9-20-17/h1-3,5,7,10-11H,4,6,8-9H2
InChIKeyQJARGLONLPOVGP-UHFFFAOYSA-N
MW378.21 g/mol
LogP4.04
Rot. Bonds4

About 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-iodophenyl)propan-1-one

3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-iodophenyl)propan-1-one (PubChem CID 114974271) has the molecular formula C17H15IO2 and a molecular weight of 378.21 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-iodophenyl)propan-1-one.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-iodophenyl)propan-1-one
PubChem CID114974271
Molecular FormulaC17H15IO2
Molecular Weight378.21 g/mol
Exact Mass378.01
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-iodophenyl)propan-1-one
SMILESO=C(CCc1ccc2c(c1)CCO2)c1cccc(I)c1
InChIInChI=1S/C17H15IO2/c18-15-3-1-2-13(11-15)16(19)6-4-12-5-7-17-14(10-12)8-9-20-17/h1-3,5,7,10-11H,4,6,8-9H2
InChIKeyQJARGLONLPOVGP-UHFFFAOYSA-N
XLogP4.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.21
LogP ≤ 54.04
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

3-(2,3-dihydro-1-benzofuran-5-yl)-1-(furan-3-yl)propan-1-one
CID 65444924
5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylpentan-1-one
CID 65441462
3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-2-ylpropan-1-one
CID 65446245
1-(2-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 65447195
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)propan-1-one
CID 43338452
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-methyl-3-pyridinyl)propan-1-one
CID 105103302
1-(cyclopenten-1-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 103447993
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylsulfanylphenyl)propan-1-one
CID 114974257
3-(2,3-dihydro-1-benzofuran-5-yl)-N,N-diphenylpropanamide
CID 154932181
1-(2,3-dihydro-1-benzofuran-5-yl)-3-thiophen-3-ylpropan-1-one
CID 114972208
1-[5-(aminomethyl)furan-2-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 116590101
1-(2,3-dihydro-1-benzofuran-5-yl)-4-(dimethylamino)-4-methylpentan-3-one
CID 79047128

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-iodophenyl)propan-1-one?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-iodophenyl)propan-1-one (CID 114974271) is 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-iodophenyl)propan-1-one.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-iodophenyl)propan-1-one?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-iodophenyl)propan-1-one is O=C(CCc1ccc2c(c1)CCO2)c1cccc(I)c1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-iodophenyl)propan-1-one?
The InChIKey is QJARGLONLPOVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15IO2/c18-15-3-1-2-13(11-15)16(19)6-4-12-5-7-17-14(10-12)8-9-20-17/h1-3,5,7,10-11H,4,6,8-9H2.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-iodophenyl)propan-1-one?
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-iodophenyl)propan-1-one has a molecular weight of 378.21 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-iodophenyl)propan-1-one is sourced from PubChem (CID 114974271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).