2-(4-fluorophenyl)-6-hydroxy-5-propan-2-yloxy-1-benzofuran-3-carbaldehyde

C18H15FO4 — CID 130469029

IUPAC2-(4-fluorophenyl)-6-hydroxy-5-propan-2-yloxy-1-benzofuran-3-carbaldehyde
SMILESCC(C)Oc1cc2c(C=O)c(-c3ccc(F)cc3)oc2cc1O
InChIInChI=1S/C18H15FO4/c1-10(2)22-17-7-13-14(9-20)18(23-16(13)8-15(17)21)11-3-5-12(19)6-4-11/h3-10,21H,1-2H3
InChIKeyCJIPTPWWJAZMGW-UHFFFAOYSA-N
MW314.31 g/mol
LogP4.54
Rot. Bonds4

About 2-(4-fluorophenyl)-6-hydroxy-5-propan-2-yloxy-1-benzofuran-3-carbaldehyde

2-(4-fluorophenyl)-6-hydroxy-5-propan-2-yloxy-1-benzofuran-3-carbaldehyde (PubChem CID 130469029) has the molecular formula C18H15FO4 and a molecular weight of 314.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-hydroxy-5-propan-2-yloxy-1-benzofuran-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-hydroxy-5-propan-2-yloxy-1-benzofuran-3-carbaldehyde
PubChem CID130469029
Molecular FormulaC18H15FO4
Molecular Weight314.31 g/mol
Exact Mass314.10
IUPAC Name2-(4-fluorophenyl)-6-hydroxy-5-propan-2-yloxy-1-benzofuran-3-carbaldehyde
SMILESCC(C)Oc1cc2c(C=O)c(-c3ccc(F)cc3)oc2cc1O
InChIInChI=1S/C18H15FO4/c1-10(2)22-17-7-13-14(9-20)18(23-16(13)8-15(17)21)11-3-5-12(19)6-4-11/h3-10,21H,1-2H3
InChIKeyCJIPTPWWJAZMGW-UHFFFAOYSA-N
XLogP4.54
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-5-hydroxy-6-(methylsulfonylmethyl)-1-benzofuran-3-carbaldehyde
CID 144727172
6-acetyl-2-(4-fluorophenyl)-5-propan-2-yloxy-1-benzofuran-3-carboxylic acid
CID 149158318
6-(carbamoylamino)-2-(4-fluorophenyl)-5-propan-2-yloxy-1-benzofuran-3-carboxylic acid
CID 142773577
ethyl 6-carbamoyl-2-(4-fluorophenyl)-5-propan-2-yloxy-1-benzofuran-3-carboxylate
CID 68683187
carbamoyl 2-(4-fluorophenyl)-6-(1-hydroxyethyl)-5-propan-2-yloxy-1-benzofuran-3-carboxylate
CID 90803350
methyl 2-(4-fluorophenyl)-6-(methanesulfonamido)-5-propan-2-yloxy-1-benzofuran-3-carboxylate
CID 67210939
6-[(dimethylamino)methyl]-2-(4-fluorophenyl)-5-propan-2-yloxy-1-benzofuran-3-carboxylic acid
CID 142773399
6-(cyclobutylsulfamoyl)-2-(4-fluorophenyl)-5-propan-2-yloxy-1-benzofuran-3-carboxylic acid
CID 142773432
2-(4-fluorophenyl)-5-(3-formyl-4-methoxyphenyl)-6-propyl-1-benzofuran-3-carbaldehyde
CID 130468925
2-(4-fluorophenyl)-5-propan-2-yloxy-6-pyridin-3-yl-1-benzofuran-3-carboxylic acid
CID 142773646
2-(4-fluorophenyl)-6-(1,3-oxazol-5-yl)-5-propan-2-yloxy-1-benzofuran-3-carboxylic acid
CID 142773595
2-(4-fluorophenyl)-6-[2-hydroxypropyl(methylsulfonyl)amino]-5-propan-2-yloxy-1-benzofuran-3-carboxylic acid
CID 142778342

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-hydroxy-5-propan-2-yloxy-1-benzofuran-3-carbaldehyde?
The IUPAC name of 2-(4-fluorophenyl)-6-hydroxy-5-propan-2-yloxy-1-benzofuran-3-carbaldehyde (CID 130469029) is 2-(4-fluorophenyl)-6-hydroxy-5-propan-2-yloxy-1-benzofuran-3-carbaldehyde.
What is the SMILES notation for 2-(4-fluorophenyl)-6-hydroxy-5-propan-2-yloxy-1-benzofuran-3-carbaldehyde?
The canonical SMILES for 2-(4-fluorophenyl)-6-hydroxy-5-propan-2-yloxy-1-benzofuran-3-carbaldehyde is CC(C)Oc1cc2c(C=O)c(-c3ccc(F)cc3)oc2cc1O.
What is the InChIKey of 2-(4-fluorophenyl)-6-hydroxy-5-propan-2-yloxy-1-benzofuran-3-carbaldehyde?
The InChIKey is CJIPTPWWJAZMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FO4/c1-10(2)22-17-7-13-14(9-20)18(23-16(13)8-15(17)21)11-3-5-12(19)6-4-11/h3-10,21H,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-6-hydroxy-5-propan-2-yloxy-1-benzofuran-3-carbaldehyde?
2-(4-fluorophenyl)-6-hydroxy-5-propan-2-yloxy-1-benzofuran-3-carbaldehyde has a molecular weight of 314.31 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-hydroxy-5-propan-2-yloxy-1-benzofuran-3-carbaldehyde is sourced from PubChem (CID 130469029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).