(1S)-1-(2-hydroxy-5-methylphenyl)-1-phenyl-3H-benzo[e]indol-2-one

C25H19NO2 — CID 162399555

IUPAC(1S)-1-(2-hydroxy-5-methylphenyl)-1-phenyl-3H-benzo[e]indol-2-one
SMILESCc1ccc(O)c([C@@]2(c3ccccc3)C(=O)Nc3ccc4ccccc4c32)c1
InChIInChI=1S/C25H19NO2/c1-16-11-14-22(27)20(15-16)25(18-8-3-2-4-9-18)23-19-10-6-5-7-17(19)12-13-21(23)26-24(25)28/h2-15,27H,1H3,(H,26,28)/t25-/m1/s1
InChIKeyDLDMXIFRGRGIDK-RUZDIDTESA-N
MW365.43 g/mol
LogP5.14
Rot. Bonds2

About (1S)-1-(2-hydroxy-5-methylphenyl)-1-phenyl-3H-benzo[e]indol-2-one

(1S)-1-(2-hydroxy-5-methylphenyl)-1-phenyl-3H-benzo[e]indol-2-one (PubChem CID 162399555) has the molecular formula C25H19NO2 and a molecular weight of 365.43 g/mol. Its IUPAC name is (1S)-1-(2-hydroxy-5-methylphenyl)-1-phenyl-3H-benzo[e]indol-2-one.

Molecular Properties

Compound Name(1S)-1-(2-hydroxy-5-methylphenyl)-1-phenyl-3H-benzo[e]indol-2-one
PubChem CID162399555
Molecular FormulaC25H19NO2
Molecular Weight365.43 g/mol
Exact Mass365.14
IUPAC Name(1S)-1-(2-hydroxy-5-methylphenyl)-1-phenyl-3H-benzo[e]indol-2-one
SMILESCc1ccc(O)c([C@@]2(c3ccccc3)C(=O)Nc3ccc4ccccc4c32)c1
InChIInChI=1S/C25H19NO2/c1-16-11-14-22(27)20(15-16)25(18-8-3-2-4-9-18)23-19-10-6-5-7-17(19)12-13-21(23)26-24(25)28/h2-15,27H,1H3,(H,26,28)/t25-/m1/s1
InChIKeyDLDMXIFRGRGIDK-RUZDIDTESA-N
XLogP5.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.43
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-hydroxy-5-methylphenyl)-1-phenyl-3H-benzo[e]indol-2-one?
The IUPAC name of (1S)-1-(2-hydroxy-5-methylphenyl)-1-phenyl-3H-benzo[e]indol-2-one (CID 162399555) is (1S)-1-(2-hydroxy-5-methylphenyl)-1-phenyl-3H-benzo[e]indol-2-one.
What is the SMILES notation for (1S)-1-(2-hydroxy-5-methylphenyl)-1-phenyl-3H-benzo[e]indol-2-one?
The canonical SMILES for (1S)-1-(2-hydroxy-5-methylphenyl)-1-phenyl-3H-benzo[e]indol-2-one is Cc1ccc(O)c([C@@]2(c3ccccc3)C(=O)Nc3ccc4ccccc4c32)c1.
What is the InChIKey of (1S)-1-(2-hydroxy-5-methylphenyl)-1-phenyl-3H-benzo[e]indol-2-one?
The InChIKey is DLDMXIFRGRGIDK-RUZDIDTESA-N. The full InChI is InChI=1S/C25H19NO2/c1-16-11-14-22(27)20(15-16)25(18-8-3-2-4-9-18)23-19-10-6-5-7-17(19)12-13-21(23)26-24(25)28/h2-15,27H,1H3,(H,26,28)/t25-/m1/s1.
What are the key properties of (1S)-1-(2-hydroxy-5-methylphenyl)-1-phenyl-3H-benzo[e]indol-2-one?
(1S)-1-(2-hydroxy-5-methylphenyl)-1-phenyl-3H-benzo[e]indol-2-one has a molecular weight of 365.43 g/mol, XLogP of 5.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-hydroxy-5-methylphenyl)-1-phenyl-3H-benzo[e]indol-2-one is sourced from PubChem (CID 162399555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).