2-(4-fluorophenyl)-7-methyl-4-propan-2-yl-1-benzofuran-3-carbaldehyde

C19H17FO2 — CID 54254455

IUPAC2-(4-fluorophenyl)-7-methyl-4-propan-2-yl-1-benzofuran-3-carbaldehyde
SMILESCc1ccc(C(C)C)c2c(C=O)c(-c3ccc(F)cc3)oc12
InChIInChI=1S/C19H17FO2/c1-11(2)15-9-4-12(3)18-17(15)16(10-21)19(22-18)13-5-7-14(20)8-6-13/h4-11H,1-3H3
InChIKeyQZAJYTQROIUODL-UHFFFAOYSA-N
MW296.34 g/mol
LogP5.48
Rot. Bonds3

About 2-(4-fluorophenyl)-7-methyl-4-propan-2-yl-1-benzofuran-3-carbaldehyde

2-(4-fluorophenyl)-7-methyl-4-propan-2-yl-1-benzofuran-3-carbaldehyde (PubChem CID 54254455) has the molecular formula C19H17FO2 and a molecular weight of 296.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-7-methyl-4-propan-2-yl-1-benzofuran-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-fluorophenyl)-7-methyl-4-propan-2-yl-1-benzofuran-3-carbaldehyde
PubChem CID54254455
Molecular FormulaC19H17FO2
Molecular Weight296.34 g/mol
Exact Mass296.12
IUPAC Name2-(4-fluorophenyl)-7-methyl-4-propan-2-yl-1-benzofuran-3-carbaldehyde
SMILESCc1ccc(C(C)C)c2c(C=O)c(-c3ccc(F)cc3)oc12
InChIInChI=1S/C19H17FO2/c1-11(2)15-9-4-12(3)18-17(15)16(10-21)19(22-18)13-5-7-14(20)8-6-13/h4-11H,1-3H3
InChIKeyQZAJYTQROIUODL-UHFFFAOYSA-N
XLogP5.48
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.34
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-7-methyl-4-propan-2-yl-1-benzofuran-3-carbaldehyde?
The IUPAC name of 2-(4-fluorophenyl)-7-methyl-4-propan-2-yl-1-benzofuran-3-carbaldehyde (CID 54254455) is 2-(4-fluorophenyl)-7-methyl-4-propan-2-yl-1-benzofuran-3-carbaldehyde.
What is the SMILES notation for 2-(4-fluorophenyl)-7-methyl-4-propan-2-yl-1-benzofuran-3-carbaldehyde?
The canonical SMILES for 2-(4-fluorophenyl)-7-methyl-4-propan-2-yl-1-benzofuran-3-carbaldehyde is Cc1ccc(C(C)C)c2c(C=O)c(-c3ccc(F)cc3)oc12.
What is the InChIKey of 2-(4-fluorophenyl)-7-methyl-4-propan-2-yl-1-benzofuran-3-carbaldehyde?
The InChIKey is QZAJYTQROIUODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FO2/c1-11(2)15-9-4-12(3)18-17(15)16(10-21)19(22-18)13-5-7-14(20)8-6-13/h4-11H,1-3H3.
What are the key properties of 2-(4-fluorophenyl)-7-methyl-4-propan-2-yl-1-benzofuran-3-carbaldehyde?
2-(4-fluorophenyl)-7-methyl-4-propan-2-yl-1-benzofuran-3-carbaldehyde has a molecular weight of 296.34 g/mol, XLogP of 5.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-7-methyl-4-propan-2-yl-1-benzofuran-3-carbaldehyde is sourced from PubChem (CID 54254455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).