6-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carbaldehyde

C16H11FO2 — CID 122476118

IUPAC6-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carbaldehyde
SMILESCc1c(C=O)oc2cc(-c3ccc(F)cc3)ccc12
InChIInChI=1S/C16H11FO2/c1-10-14-7-4-12(8-15(14)19-16(10)9-18)11-2-5-13(17)6-3-11/h2-9H,1H3
InChIKeyLZFUDSKKNSEYPA-UHFFFAOYSA-N
MW254.26 g/mol
LogP4.36
Rot. Bonds2

About 6-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carbaldehyde

6-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carbaldehyde (PubChem CID 122476118) has the molecular formula C16H11FO2 and a molecular weight of 254.26 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carbaldehyde.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carbaldehyde
PubChem CID122476118
Molecular FormulaC16H11FO2
Molecular Weight254.26 g/mol
Exact Mass254.07
IUPAC Name6-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carbaldehyde
SMILESCc1c(C=O)oc2cc(-c3ccc(F)cc3)ccc12
InChIInChI=1S/C16H11FO2/c1-10-14-7-4-12(8-15(14)19-16(10)9-18)11-2-5-13(17)6-3-11/h2-9H,1H3
InChIKeyLZFUDSKKNSEYPA-UHFFFAOYSA-N
XLogP4.36
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-7-(4-methylphenyl)chromen-2-one
CID 131978430
3-bromo-6-methyl-1-benzofuran-2-carbaldehyde
CID 13088466
2-ethenyl-6-(4-methylphenyl)-3-propyl-1-benzofuran
CID 145452303
3,6-dimethyl-2-prop-1-enyl-1-benzofuran
CID 91153270
3-methyl-6-phosphanyl-1-benzofuran-2-carbaldehyde;1-(5-phenylfuran-2-yl)butan-1-one
CID 143084531
2-ethyl-6-fluoro-1-benzofuran-3-carbaldehyde
CID 139644441
3-[4-[4-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964733
1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 58320925
7-fluoro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde
CID 84623265
4-methoxy-3-methyl-1-benzofuran-2-carbaldehyde
CID 82374331
4-(4-fluorophenyl)-5-methyl-1,3-oxazole-2-carbaldehyde
CID 105457027
1-fluoro-4-[3-(4-methylphenyl)phenyl]benzene
CID 23629230

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carbaldehyde?
The IUPAC name of 6-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carbaldehyde (CID 122476118) is 6-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carbaldehyde.
What is the SMILES notation for 6-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carbaldehyde?
The canonical SMILES for 6-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carbaldehyde is Cc1c(C=O)oc2cc(-c3ccc(F)cc3)ccc12.
What is the InChIKey of 6-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carbaldehyde?
The InChIKey is LZFUDSKKNSEYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FO2/c1-10-14-7-4-12(8-15(14)19-16(10)9-18)11-2-5-13(17)6-3-11/h2-9H,1H3.
What are the key properties of 6-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carbaldehyde?
6-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carbaldehyde has a molecular weight of 254.26 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carbaldehyde is sourced from PubChem (CID 122476118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).