4-(2-ethylphenyl)-2-iodo-3-methyl-5-phenylfuran

C19H17IO — CID 166900704

IUPAC4-(2-ethylphenyl)-2-iodo-3-methyl-5-phenylfuran
SMILESCCc1ccccc1-c1c(-c2ccccc2)oc(I)c1C
InChIInChI=1S/C19H17IO/c1-3-14-9-7-8-12-16(14)17-13(2)19(20)21-18(17)15-10-5-4-6-11-15/h4-12H,3H2,1-2H3
InChIKeyDLKVZAFYAUZSEQ-UHFFFAOYSA-N
MW388.25 g/mol
LogP6.09
Rot. Bonds3

About 4-(2-ethylphenyl)-2-iodo-3-methyl-5-phenylfuran

4-(2-ethylphenyl)-2-iodo-3-methyl-5-phenylfuran (PubChem CID 166900704) has the molecular formula C19H17IO and a molecular weight of 388.25 g/mol. Its IUPAC name is 4-(2-ethylphenyl)-2-iodo-3-methyl-5-phenylfuran.

Molecular Properties

Compound Name4-(2-ethylphenyl)-2-iodo-3-methyl-5-phenylfuran
PubChem CID166900704
Molecular FormulaC19H17IO
Molecular Weight388.25 g/mol
Exact Mass388.03
IUPAC Name4-(2-ethylphenyl)-2-iodo-3-methyl-5-phenylfuran
SMILESCCc1ccccc1-c1c(-c2ccccc2)oc(I)c1C
InChIInChI=1S/C19H17IO/c1-3-14-9-7-8-12-16(14)17-13(2)19(20)21-18(17)15-10-5-4-6-11-15/h4-12H,3H2,1-2H3
InChIKeyDLKVZAFYAUZSEQ-UHFFFAOYSA-N
XLogP6.09
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.25
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylphenyl)-2-iodo-3-methyl-5-phenylfuran?
The IUPAC name of 4-(2-ethylphenyl)-2-iodo-3-methyl-5-phenylfuran (CID 166900704) is 4-(2-ethylphenyl)-2-iodo-3-methyl-5-phenylfuran.
What is the SMILES notation for 4-(2-ethylphenyl)-2-iodo-3-methyl-5-phenylfuran?
The canonical SMILES for 4-(2-ethylphenyl)-2-iodo-3-methyl-5-phenylfuran is CCc1ccccc1-c1c(-c2ccccc2)oc(I)c1C.
What is the InChIKey of 4-(2-ethylphenyl)-2-iodo-3-methyl-5-phenylfuran?
The InChIKey is DLKVZAFYAUZSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17IO/c1-3-14-9-7-8-12-16(14)17-13(2)19(20)21-18(17)15-10-5-4-6-11-15/h4-12H,3H2,1-2H3.
What are the key properties of 4-(2-ethylphenyl)-2-iodo-3-methyl-5-phenylfuran?
4-(2-ethylphenyl)-2-iodo-3-methyl-5-phenylfuran has a molecular weight of 388.25 g/mol, XLogP of 6.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylphenyl)-2-iodo-3-methyl-5-phenylfuran is sourced from PubChem (CID 166900704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).