(3S)-1-iodo-3-methyl-3-phenyl-2H-indol-2-ol

C15H14INO — CID 146564504

IUPAC(3S)-1-iodo-3-methyl-3-phenyl-2H-indol-2-ol
SMILESC[C@]1(c2ccccc2)c2ccccc2N(I)C1O
InChIInChI=1S/C15H14INO/c1-15(11-7-3-2-4-8-11)12-9-5-6-10-13(12)17(16)14(15)18/h2-10,14,18H,1H3/t14?,15-/m0/s1
InChIKeyDCVYPUMAFNZCKK-LOACHALJSA-N
MW351.19 g/mol
LogP3.48
Rot. Bonds1

About (3S)-1-iodo-3-methyl-3-phenyl-2H-indol-2-ol

(3S)-1-iodo-3-methyl-3-phenyl-2H-indol-2-ol (PubChem CID 146564504) has the molecular formula C15H14INO and a molecular weight of 351.19 g/mol. Its IUPAC name is (3S)-1-iodo-3-methyl-3-phenyl-2H-indol-2-ol.

Molecular Properties

Compound Name(3S)-1-iodo-3-methyl-3-phenyl-2H-indol-2-ol
PubChem CID146564504
Molecular FormulaC15H14INO
Molecular Weight351.19 g/mol
Exact Mass351.01
IUPAC Name(3S)-1-iodo-3-methyl-3-phenyl-2H-indol-2-ol
SMILESC[C@]1(c2ccccc2)c2ccccc2N(I)C1O
InChIInChI=1S/C15H14INO/c1-15(11-7-3-2-4-8-11)12-9-5-6-10-13(12)17(16)14(15)18/h2-10,14,18H,1H3/t14?,15-/m0/s1
InChIKeyDCVYPUMAFNZCKK-LOACHALJSA-N
XLogP3.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-iodo-3-methyl-3-phenyl-2H-indol-2-ol?
The IUPAC name of (3S)-1-iodo-3-methyl-3-phenyl-2H-indol-2-ol (CID 146564504) is (3S)-1-iodo-3-methyl-3-phenyl-2H-indol-2-ol.
What is the SMILES notation for (3S)-1-iodo-3-methyl-3-phenyl-2H-indol-2-ol?
The canonical SMILES for (3S)-1-iodo-3-methyl-3-phenyl-2H-indol-2-ol is C[C@]1(c2ccccc2)c2ccccc2N(I)C1O.
What is the InChIKey of (3S)-1-iodo-3-methyl-3-phenyl-2H-indol-2-ol?
The InChIKey is DCVYPUMAFNZCKK-LOACHALJSA-N. The full InChI is InChI=1S/C15H14INO/c1-15(11-7-3-2-4-8-11)12-9-5-6-10-13(12)17(16)14(15)18/h2-10,14,18H,1H3/t14?,15-/m0/s1.
What are the key properties of (3S)-1-iodo-3-methyl-3-phenyl-2H-indol-2-ol?
(3S)-1-iodo-3-methyl-3-phenyl-2H-indol-2-ol has a molecular weight of 351.19 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-iodo-3-methyl-3-phenyl-2H-indol-2-ol is sourced from PubChem (CID 146564504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).