3-(4-fluoro-2-hydroxy-5-methoxyphenyl)-3-hydroxy-1-[(2-phenylphenyl)methyl]indol-2-one

C28H22FNO4 — CID 141474139

IUPAC3-(4-fluoro-2-hydroxy-5-methoxyphenyl)-3-hydroxy-1-[(2-phenylphenyl)methyl]indol-2-one
SMILESCOc1cc(C2(O)C(=O)N(Cc3ccccc3-c3ccccc3)c3ccccc32)c(O)cc1F
InChIInChI=1S/C28H22FNO4/c1-34-26-15-22(25(31)16-23(26)29)28(33)21-13-7-8-14-24(21)30(27(28)32)17-19-11-5-6-12-20(19)18-9-3-2-4-10-18/h2-16,31,33H,17H2,1H3
InChIKeyNLJPBXMLQSPXLW-UHFFFAOYSA-N
MW455.49 g/mol
LogP4.99
Rot. Bonds5

About 3-(4-fluoro-2-hydroxy-5-methoxyphenyl)-3-hydroxy-1-[(2-phenylphenyl)methyl]indol-2-one

3-(4-fluoro-2-hydroxy-5-methoxyphenyl)-3-hydroxy-1-[(2-phenylphenyl)methyl]indol-2-one (PubChem CID 141474139) has the molecular formula C28H22FNO4 and a molecular weight of 455.49 g/mol. Its IUPAC name is 3-(4-fluoro-2-hydroxy-5-methoxyphenyl)-3-hydroxy-1-[(2-phenylphenyl)methyl]indol-2-one.

Molecular Properties

Compound Name3-(4-fluoro-2-hydroxy-5-methoxyphenyl)-3-hydroxy-1-[(2-phenylphenyl)methyl]indol-2-one
PubChem CID141474139
Molecular FormulaC28H22FNO4
Molecular Weight455.49 g/mol
Exact Mass455.15
IUPAC Name3-(4-fluoro-2-hydroxy-5-methoxyphenyl)-3-hydroxy-1-[(2-phenylphenyl)methyl]indol-2-one
SMILESCOc1cc(C2(O)C(=O)N(Cc3ccccc3-c3ccccc3)c3ccccc32)c(O)cc1F
InChIInChI=1S/C28H22FNO4/c1-34-26-15-22(25(31)16-23(26)29)28(33)21-13-7-8-14-24(21)30(27(28)32)17-19-11-5-6-12-20(19)18-9-3-2-4-10-18/h2-16,31,33H,17H2,1H3
InChIKeyNLJPBXMLQSPXLW-UHFFFAOYSA-N
XLogP4.99
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-hydroxy-5-methoxyphenyl)-3-hydroxy-1-[(2-phenylphenyl)methyl]indol-2-one?
The IUPAC name of 3-(4-fluoro-2-hydroxy-5-methoxyphenyl)-3-hydroxy-1-[(2-phenylphenyl)methyl]indol-2-one (CID 141474139) is 3-(4-fluoro-2-hydroxy-5-methoxyphenyl)-3-hydroxy-1-[(2-phenylphenyl)methyl]indol-2-one.
What is the SMILES notation for 3-(4-fluoro-2-hydroxy-5-methoxyphenyl)-3-hydroxy-1-[(2-phenylphenyl)methyl]indol-2-one?
The canonical SMILES for 3-(4-fluoro-2-hydroxy-5-methoxyphenyl)-3-hydroxy-1-[(2-phenylphenyl)methyl]indol-2-one is COc1cc(C2(O)C(=O)N(Cc3ccccc3-c3ccccc3)c3ccccc32)c(O)cc1F.
What is the InChIKey of 3-(4-fluoro-2-hydroxy-5-methoxyphenyl)-3-hydroxy-1-[(2-phenylphenyl)methyl]indol-2-one?
The InChIKey is NLJPBXMLQSPXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22FNO4/c1-34-26-15-22(25(31)16-23(26)29)28(33)21-13-7-8-14-24(21)30(27(28)32)17-19-11-5-6-12-20(19)18-9-3-2-4-10-18/h2-16,31,33H,17H2,1H3.
What are the key properties of 3-(4-fluoro-2-hydroxy-5-methoxyphenyl)-3-hydroxy-1-[(2-phenylphenyl)methyl]indol-2-one?
3-(4-fluoro-2-hydroxy-5-methoxyphenyl)-3-hydroxy-1-[(2-phenylphenyl)methyl]indol-2-one has a molecular weight of 455.49 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-hydroxy-5-methoxyphenyl)-3-hydroxy-1-[(2-phenylphenyl)methyl]indol-2-one is sourced from PubChem (CID 141474139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).