(3E)-3-[(3-cyclopentyl-4-hydroxyphenyl)methylidene]-5-fluoro-1H-indol-2-one

C20H18FNO2 — CID 23439039

IUPAC(3E)-3-[(3-cyclopentyl-4-hydroxyphenyl)methylidene]-5-fluoro-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2/C1=C\c1ccc(O)c(C2CCCC2)c1
InChIInChI=1S/C20H18FNO2/c21-14-6-7-18-16(11-14)17(20(24)22-18)10-12-5-8-19(23)15(9-12)13-3-1-2-4-13/h5-11,13,23H,1-4H2,(H,22,24)/b17-10+
InChIKeyYKFAMJKSZGXPNA-LICLKQGHSA-N
MW323.37 g/mol
LogP4.68
Rot. Bonds2

About (3E)-3-[(3-cyclopentyl-4-hydroxyphenyl)methylidene]-5-fluoro-1H-indol-2-one

(3E)-3-[(3-cyclopentyl-4-hydroxyphenyl)methylidene]-5-fluoro-1H-indol-2-one (PubChem CID 23439039) has the molecular formula C20H18FNO2 and a molecular weight of 323.37 g/mol. Its IUPAC name is (3E)-3-[(3-cyclopentyl-4-hydroxyphenyl)methylidene]-5-fluoro-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[(3-cyclopentyl-4-hydroxyphenyl)methylidene]-5-fluoro-1H-indol-2-one
PubChem CID23439039
Molecular FormulaC20H18FNO2
Molecular Weight323.37 g/mol
Exact Mass323.13
IUPAC Name(3E)-3-[(3-cyclopentyl-4-hydroxyphenyl)methylidene]-5-fluoro-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2/C1=C\c1ccc(O)c(C2CCCC2)c1
InChIInChI=1S/C20H18FNO2/c21-14-6-7-18-16(11-14)17(20(24)22-18)10-12-5-8-19(23)15(9-12)13-3-1-2-4-13/h5-11,13,23H,1-4H2,(H,22,24)/b17-10+
InChIKeyYKFAMJKSZGXPNA-LICLKQGHSA-N
XLogP4.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(3-cyclopentyl-4-hydroxyphenyl)methylidene]-5-fluoro-1H-indol-2-one?
The IUPAC name of (3E)-3-[(3-cyclopentyl-4-hydroxyphenyl)methylidene]-5-fluoro-1H-indol-2-one (CID 23439039) is (3E)-3-[(3-cyclopentyl-4-hydroxyphenyl)methylidene]-5-fluoro-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[(3-cyclopentyl-4-hydroxyphenyl)methylidene]-5-fluoro-1H-indol-2-one?
The canonical SMILES for (3E)-3-[(3-cyclopentyl-4-hydroxyphenyl)methylidene]-5-fluoro-1H-indol-2-one is O=C1Nc2ccc(F)cc2/C1=C\c1ccc(O)c(C2CCCC2)c1.
What is the InChIKey of (3E)-3-[(3-cyclopentyl-4-hydroxyphenyl)methylidene]-5-fluoro-1H-indol-2-one?
The InChIKey is YKFAMJKSZGXPNA-LICLKQGHSA-N. The full InChI is InChI=1S/C20H18FNO2/c21-14-6-7-18-16(11-14)17(20(24)22-18)10-12-5-8-19(23)15(9-12)13-3-1-2-4-13/h5-11,13,23H,1-4H2,(H,22,24)/b17-10+.
What are the key properties of (3E)-3-[(3-cyclopentyl-4-hydroxyphenyl)methylidene]-5-fluoro-1H-indol-2-one?
(3E)-3-[(3-cyclopentyl-4-hydroxyphenyl)methylidene]-5-fluoro-1H-indol-2-one has a molecular weight of 323.37 g/mol, XLogP of 4.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(3-cyclopentyl-4-hydroxyphenyl)methylidene]-5-fluoro-1H-indol-2-one is sourced from PubChem (CID 23439039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).