(4-iodophenyl)-(7-methyl-1-benzofuran-2-yl)methanone

C16H11IO2 — CID 115808386

IUPAC(4-iodophenyl)-(7-methyl-1-benzofuran-2-yl)methanone
SMILESCc1cccc2cc(C(=O)c3ccc(I)cc3)oc12
InChIInChI=1S/C16H11IO2/c1-10-3-2-4-12-9-14(19-16(10)12)15(18)11-5-7-13(17)8-6-11/h2-9H,1H3
InChIKeyUGXBSGIUOYVHIX-UHFFFAOYSA-N
MW362.17 g/mol
LogP4.58
Rot. Bonds2

About (4-iodophenyl)-(7-methyl-1-benzofuran-2-yl)methanone

(4-iodophenyl)-(7-methyl-1-benzofuran-2-yl)methanone (PubChem CID 115808386) has the molecular formula C16H11IO2 and a molecular weight of 362.17 g/mol. Its IUPAC name is (4-iodophenyl)-(7-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(4-iodophenyl)-(7-methyl-1-benzofuran-2-yl)methanone
PubChem CID115808386
Molecular FormulaC16H11IO2
Molecular Weight362.17 g/mol
Exact Mass361.98
IUPAC Name(4-iodophenyl)-(7-methyl-1-benzofuran-2-yl)methanone
SMILESCc1cccc2cc(C(=O)c3ccc(I)cc3)oc12
InChIInChI=1S/C16H11IO2/c1-10-3-2-4-12-9-14(19-16(10)12)15(18)11-5-7-13(17)8-6-11/h2-9H,1H3
InChIKeyUGXBSGIUOYVHIX-UHFFFAOYSA-N
XLogP4.58
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.17
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-iodophenyl)-(7-methyl-1-benzofuran-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(aminomethyl)phenyl]-(7-methyl-1-benzofuran-2-yl)methanone
CID 114736158
(4-methoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 54103779
(7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanone
CID 112614517
(4-bromo-3,5-dimethylphenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 114726267
1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 14468440
(7-methyl-1-benzofuran-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 115808396
(7-methyl-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanone
CID 115808342
(3-bromo-2-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 107957391
(2-methoxy-5-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 115957340
(4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 112614525
(7-chloro-1-benzofuran-2-yl)-(2,3-dimethylphenyl)methanone
CID 115810708
1-(7-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanone
CID 114725200

Frequently Asked Questions

What is the IUPAC name of (4-iodophenyl)-(7-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of (4-iodophenyl)-(7-methyl-1-benzofuran-2-yl)methanone (CID 115808386) is (4-iodophenyl)-(7-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (4-iodophenyl)-(7-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for (4-iodophenyl)-(7-methyl-1-benzofuran-2-yl)methanone is Cc1cccc2cc(C(=O)c3ccc(I)cc3)oc12.
What is the InChIKey of (4-iodophenyl)-(7-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is UGXBSGIUOYVHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11IO2/c1-10-3-2-4-12-9-14(19-16(10)12)15(18)11-5-7-13(17)8-6-11/h2-9H,1H3.
What are the key properties of (4-iodophenyl)-(7-methyl-1-benzofuran-2-yl)methanone?
(4-iodophenyl)-(7-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 362.17 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iodophenyl)-(7-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 115808386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).