5-(4-fluoro-3-methylphenyl)-3-propan-2-yl-1-benzofuran-4-carbaldehyde

C19H17FO2 — CID 88508881

IUPAC5-(4-fluoro-3-methylphenyl)-3-propan-2-yl-1-benzofuran-4-carbaldehyde
SMILESCc1cc(-c2ccc3occ(C(C)C)c3c2C=O)ccc1F
InChIInChI=1S/C19H17FO2/c1-11(2)16-10-22-18-7-5-14(15(9-21)19(16)18)13-4-6-17(20)12(3)8-13/h4-11H,1-3H3
InChIKeySDBFFSOGGOAKPK-UHFFFAOYSA-N
MW296.34 g/mol
LogP5.48
Rot. Bonds3

About 5-(4-fluoro-3-methylphenyl)-3-propan-2-yl-1-benzofuran-4-carbaldehyde

5-(4-fluoro-3-methylphenyl)-3-propan-2-yl-1-benzofuran-4-carbaldehyde (PubChem CID 88508881) has the molecular formula C19H17FO2 and a molecular weight of 296.34 g/mol. Its IUPAC name is 5-(4-fluoro-3-methylphenyl)-3-propan-2-yl-1-benzofuran-4-carbaldehyde.

Molecular Properties

Compound Name5-(4-fluoro-3-methylphenyl)-3-propan-2-yl-1-benzofuran-4-carbaldehyde
PubChem CID88508881
Molecular FormulaC19H17FO2
Molecular Weight296.34 g/mol
Exact Mass296.12
IUPAC Name5-(4-fluoro-3-methylphenyl)-3-propan-2-yl-1-benzofuran-4-carbaldehyde
SMILESCc1cc(-c2ccc3occ(C(C)C)c3c2C=O)ccc1F
InChIInChI=1S/C19H17FO2/c1-11(2)16-10-22-18-7-5-14(15(9-21)19(16)18)13-4-6-17(20)12(3)8-13/h4-11H,1-3H3
InChIKeySDBFFSOGGOAKPK-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 5-(4-fluoro-3-methylphenyl)-3-propan-2-yl-1-benzofuran-4-carbaldehyde?
The IUPAC name of 5-(4-fluoro-3-methylphenyl)-3-propan-2-yl-1-benzofuran-4-carbaldehyde (CID 88508881) is 5-(4-fluoro-3-methylphenyl)-3-propan-2-yl-1-benzofuran-4-carbaldehyde.
What is the SMILES notation for 5-(4-fluoro-3-methylphenyl)-3-propan-2-yl-1-benzofuran-4-carbaldehyde?
The canonical SMILES for 5-(4-fluoro-3-methylphenyl)-3-propan-2-yl-1-benzofuran-4-carbaldehyde is Cc1cc(-c2ccc3occ(C(C)C)c3c2C=O)ccc1F.
What is the InChIKey of 5-(4-fluoro-3-methylphenyl)-3-propan-2-yl-1-benzofuran-4-carbaldehyde?
The InChIKey is SDBFFSOGGOAKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FO2/c1-11(2)16-10-22-18-7-5-14(15(9-21)19(16)18)13-4-6-17(20)12(3)8-13/h4-11H,1-3H3.
What are the key properties of 5-(4-fluoro-3-methylphenyl)-3-propan-2-yl-1-benzofuran-4-carbaldehyde?
5-(4-fluoro-3-methylphenyl)-3-propan-2-yl-1-benzofuran-4-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 5-(4-fluoro-3-methylphenyl)-3-propan-2-yl-1-benzofuran-4-carbaldehyde is sourced from PubChem (CID 88508881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).