6,7-difluoro-3-(4-hydroxyphenyl)-3-pentyl-1H-indol-2-one

C19H19F2NO2 — CID 25060820

IUPAC6,7-difluoro-3-(4-hydroxyphenyl)-3-pentyl-1H-indol-2-one
SMILESCCCCCC1(c2ccc(O)cc2)C(=O)Nc2c1ccc(F)c2F
InChIInChI=1S/C19H19F2NO2/c1-2-3-4-11-19(12-5-7-13(23)8-6-12)14-9-10-15(20)16(21)17(14)22-18(19)24/h5-10,23H,2-4,11H2,1H3,(H,22,24)
InChIKeyYYAOOUIPSUQQTI-UHFFFAOYSA-N
MW331.36 g/mol
LogP4.49
Rot. Bonds5

About 6,7-difluoro-3-(4-hydroxyphenyl)-3-pentyl-1H-indol-2-one

6,7-difluoro-3-(4-hydroxyphenyl)-3-pentyl-1H-indol-2-one (PubChem CID 25060820) has the molecular formula C19H19F2NO2 and a molecular weight of 331.36 g/mol. Its IUPAC name is 6,7-difluoro-3-(4-hydroxyphenyl)-3-pentyl-1H-indol-2-one.

Molecular Properties

Compound Name6,7-difluoro-3-(4-hydroxyphenyl)-3-pentyl-1H-indol-2-one
PubChem CID25060820
Molecular FormulaC19H19F2NO2
Molecular Weight331.36 g/mol
Exact Mass331.14
IUPAC Name6,7-difluoro-3-(4-hydroxyphenyl)-3-pentyl-1H-indol-2-one
SMILESCCCCCC1(c2ccc(O)cc2)C(=O)Nc2c1ccc(F)c2F
InChIInChI=1S/C19H19F2NO2/c1-2-3-4-11-19(12-5-7-13(23)8-6-12)14-9-10-15(20)16(21)17(14)22-18(19)24/h5-10,23H,2-4,11H2,1H3,(H,22,24)
InChIKeyYYAOOUIPSUQQTI-UHFFFAOYSA-N
XLogP4.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-3-(4-hydroxyphenyl)-3-pentyl-1H-indol-2-one?
The IUPAC name of 6,7-difluoro-3-(4-hydroxyphenyl)-3-pentyl-1H-indol-2-one (CID 25060820) is 6,7-difluoro-3-(4-hydroxyphenyl)-3-pentyl-1H-indol-2-one.
What is the SMILES notation for 6,7-difluoro-3-(4-hydroxyphenyl)-3-pentyl-1H-indol-2-one?
The canonical SMILES for 6,7-difluoro-3-(4-hydroxyphenyl)-3-pentyl-1H-indol-2-one is CCCCCC1(c2ccc(O)cc2)C(=O)Nc2c1ccc(F)c2F.
What is the InChIKey of 6,7-difluoro-3-(4-hydroxyphenyl)-3-pentyl-1H-indol-2-one?
The InChIKey is YYAOOUIPSUQQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO2/c1-2-3-4-11-19(12-5-7-13(23)8-6-12)14-9-10-15(20)16(21)17(14)22-18(19)24/h5-10,23H,2-4,11H2,1H3,(H,22,24).
What are the key properties of 6,7-difluoro-3-(4-hydroxyphenyl)-3-pentyl-1H-indol-2-one?
6,7-difluoro-3-(4-hydroxyphenyl)-3-pentyl-1H-indol-2-one has a molecular weight of 331.36 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-3-(4-hydroxyphenyl)-3-pentyl-1H-indol-2-one is sourced from PubChem (CID 25060820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).