3-[4-hydroxy-3-(3-methylphenyl)phenyl]-1-phenyl-3H-indol-2-one

C27H21NO2 — CID 151275315

IUPAC3-[4-hydroxy-3-(3-methylphenyl)phenyl]-1-phenyl-3H-indol-2-one
SMILESCc1cccc(-c2cc(C3C(=O)N(c4ccccc4)c4ccccc43)ccc2O)c1
InChIInChI=1S/C27H21NO2/c1-18-8-7-9-19(16-18)23-17-20(14-15-25(23)29)26-22-12-5-6-13-24(22)28(27(26)30)21-10-3-2-4-11-21/h2-17,26,29H,1H3
InChIKeyNXFONYYWTZMANQ-UHFFFAOYSA-N
MW391.47 g/mol
LogP6.18
Rot. Bonds3

About 3-[4-hydroxy-3-(3-methylphenyl)phenyl]-1-phenyl-3H-indol-2-one

3-[4-hydroxy-3-(3-methylphenyl)phenyl]-1-phenyl-3H-indol-2-one (PubChem CID 151275315) has the molecular formula C27H21NO2 and a molecular weight of 391.47 g/mol. Its IUPAC name is 3-[4-hydroxy-3-(3-methylphenyl)phenyl]-1-phenyl-3H-indol-2-one.

Molecular Properties

Compound Name3-[4-hydroxy-3-(3-methylphenyl)phenyl]-1-phenyl-3H-indol-2-one
PubChem CID151275315
Molecular FormulaC27H21NO2
Molecular Weight391.47 g/mol
Exact Mass391.16
IUPAC Name3-[4-hydroxy-3-(3-methylphenyl)phenyl]-1-phenyl-3H-indol-2-one
SMILESCc1cccc(-c2cc(C3C(=O)N(c4ccccc4)c4ccccc43)ccc2O)c1
InChIInChI=1S/C27H21NO2/c1-18-8-7-9-19(16-18)23-17-20(14-15-25(23)29)26-22-12-5-6-13-24(22)28(27(26)30)21-10-3-2-4-11-21/h2-17,26,29H,1H3
InChIKeyNXFONYYWTZMANQ-UHFFFAOYSA-N
XLogP6.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-hydroxy-3-(3-methylphenyl)phenyl]-1-phenyl-3H-indol-2-one?
The IUPAC name of 3-[4-hydroxy-3-(3-methylphenyl)phenyl]-1-phenyl-3H-indol-2-one (CID 151275315) is 3-[4-hydroxy-3-(3-methylphenyl)phenyl]-1-phenyl-3H-indol-2-one.
What is the SMILES notation for 3-[4-hydroxy-3-(3-methylphenyl)phenyl]-1-phenyl-3H-indol-2-one?
The canonical SMILES for 3-[4-hydroxy-3-(3-methylphenyl)phenyl]-1-phenyl-3H-indol-2-one is Cc1cccc(-c2cc(C3C(=O)N(c4ccccc4)c4ccccc43)ccc2O)c1.
What is the InChIKey of 3-[4-hydroxy-3-(3-methylphenyl)phenyl]-1-phenyl-3H-indol-2-one?
The InChIKey is NXFONYYWTZMANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21NO2/c1-18-8-7-9-19(16-18)23-17-20(14-15-25(23)29)26-22-12-5-6-13-24(22)28(27(26)30)21-10-3-2-4-11-21/h2-17,26,29H,1H3.
What are the key properties of 3-[4-hydroxy-3-(3-methylphenyl)phenyl]-1-phenyl-3H-indol-2-one?
3-[4-hydroxy-3-(3-methylphenyl)phenyl]-1-phenyl-3H-indol-2-one has a molecular weight of 391.47 g/mol, XLogP of 6.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-hydroxy-3-(3-methylphenyl)phenyl]-1-phenyl-3H-indol-2-one is sourced from PubChem (CID 151275315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).