4-(4-iodophenyl)-2-methyldibenzofuran

C19H13IO — CID 161298948

IUPAC4-(4-iodophenyl)-2-methyldibenzofuran
SMILESCc1cc(-c2ccc(I)cc2)c2oc3ccccc3c2c1
InChIInChI=1S/C19H13IO/c1-12-10-16(13-6-8-14(20)9-7-13)19-17(11-12)15-4-2-3-5-18(15)21-19/h2-11H,1H3
InChIKeyVHIQNRRFWYPJFC-UHFFFAOYSA-N
MW384.22 g/mol
LogP6.17
Rot. Bonds1

About 4-(4-iodophenyl)-2-methyldibenzofuran

4-(4-iodophenyl)-2-methyldibenzofuran (PubChem CID 161298948) has the molecular formula C19H13IO and a molecular weight of 384.22 g/mol. Its IUPAC name is 4-(4-iodophenyl)-2-methyldibenzofuran.

Molecular Properties

Compound Name4-(4-iodophenyl)-2-methyldibenzofuran
PubChem CID161298948
Molecular FormulaC19H13IO
Molecular Weight384.22 g/mol
Exact Mass384.00
IUPAC Name4-(4-iodophenyl)-2-methyldibenzofuran
SMILESCc1cc(-c2ccc(I)cc2)c2oc3ccccc3c2c1
InChIInChI=1S/C19H13IO/c1-12-10-16(13-6-8-14(20)9-7-13)19-17(11-12)15-4-2-3-5-18(15)21-19/h2-11H,1H3
InChIKeyVHIQNRRFWYPJFC-UHFFFAOYSA-N
XLogP6.17
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.22
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(4-methylphenyl)phenyl]naphtho[1,2-b][1]benzofuran
CID 118887094
2-[4-(2-methyldibenzofuran-4-yl)phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176757249
4-[4-[6-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]dibenzofuran
CID 170289926
2-methyl-6-(4-methylphenyl)dibenzofuran
CID 134235595
4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964725
9-methyl-7-phenylbenzo[c]chromen-6-one
CID 16754507
4-[3-(4-methylphenyl)-5-phenylphenyl]dibenzofuran
CID 70812680
N-(4-dibenzofuran-4-ylphenyl)-4-methyl-N-(4-methylphenyl)aniline
CID 58113345
1-bromo-4-(4-iodophenyl)dibenzofuran
CID 155078128
3-[4-(2,8-dimethyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine
CID 58068788
2-methyldibenzofuran-4-carboxylic acid
CID 167268287
2-[3-methyl-4-[3-methyl-5-(2-phenyldibenzofuran-4-yl)phenyl]phenyl]-4-[3-[4-[4-(3-methylphenyl)dibenzofuran-2-yl]phenyl]phenyl]dibenzofuran
CID 123626213

Frequently Asked Questions

What is the IUPAC name of 4-(4-iodophenyl)-2-methyldibenzofuran?
The IUPAC name of 4-(4-iodophenyl)-2-methyldibenzofuran (CID 161298948) is 4-(4-iodophenyl)-2-methyldibenzofuran.
What is the SMILES notation for 4-(4-iodophenyl)-2-methyldibenzofuran?
The canonical SMILES for 4-(4-iodophenyl)-2-methyldibenzofuran is Cc1cc(-c2ccc(I)cc2)c2oc3ccccc3c2c1.
What is the InChIKey of 4-(4-iodophenyl)-2-methyldibenzofuran?
The InChIKey is VHIQNRRFWYPJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13IO/c1-12-10-16(13-6-8-14(20)9-7-13)19-17(11-12)15-4-2-3-5-18(15)21-19/h2-11H,1H3.
What are the key properties of 4-(4-iodophenyl)-2-methyldibenzofuran?
4-(4-iodophenyl)-2-methyldibenzofuran has a molecular weight of 384.22 g/mol, XLogP of 6.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodophenyl)-2-methyldibenzofuran is sourced from PubChem (CID 161298948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).