(1-benzyl-5-hydroxy-2-propan-2-yl-2,3-dihydroindol-3-yl)-phenylmethanone

C25H25NO2 — CID 70312387

IUPAC(1-benzyl-5-hydroxy-2-propan-2-yl-2,3-dihydroindol-3-yl)-phenylmethanone
SMILESCC(C)C1C(C(=O)c2ccccc2)c2cc(O)ccc2N1Cc1ccccc1
InChIInChI=1S/C25H25NO2/c1-17(2)24-23(25(28)19-11-7-4-8-12-19)21-15-20(27)13-14-22(21)26(24)16-18-9-5-3-6-10-18/h3-15,17,23-24,27H,16H2,1-2H3
InChIKeyHNDSULPQFJFWJW-UHFFFAOYSA-N
MW371.48 g/mol
LogP5.40
Rot. Bonds5

About (1-benzyl-5-hydroxy-2-propan-2-yl-2,3-dihydroindol-3-yl)-phenylmethanone

(1-benzyl-5-hydroxy-2-propan-2-yl-2,3-dihydroindol-3-yl)-phenylmethanone (PubChem CID 70312387) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is (1-benzyl-5-hydroxy-2-propan-2-yl-2,3-dihydroindol-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(1-benzyl-5-hydroxy-2-propan-2-yl-2,3-dihydroindol-3-yl)-phenylmethanone
PubChem CID70312387
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name(1-benzyl-5-hydroxy-2-propan-2-yl-2,3-dihydroindol-3-yl)-phenylmethanone
SMILESCC(C)C1C(C(=O)c2ccccc2)c2cc(O)ccc2N1Cc1ccccc1
InChIInChI=1S/C25H25NO2/c1-17(2)24-23(25(28)19-11-7-4-8-12-19)21-15-20(27)13-14-22(21)26(24)16-18-9-5-3-6-10-18/h3-15,17,23-24,27H,16H2,1-2H3
InChIKeyHNDSULPQFJFWJW-UHFFFAOYSA-N
XLogP5.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-benzyl-5-hydroxy-2-propan-2-yl-2,3-dihydroindol-3-yl)-phenylmethanone?
The IUPAC name of (1-benzyl-5-hydroxy-2-propan-2-yl-2,3-dihydroindol-3-yl)-phenylmethanone (CID 70312387) is (1-benzyl-5-hydroxy-2-propan-2-yl-2,3-dihydroindol-3-yl)-phenylmethanone.
What is the SMILES notation for (1-benzyl-5-hydroxy-2-propan-2-yl-2,3-dihydroindol-3-yl)-phenylmethanone?
The canonical SMILES for (1-benzyl-5-hydroxy-2-propan-2-yl-2,3-dihydroindol-3-yl)-phenylmethanone is CC(C)C1C(C(=O)c2ccccc2)c2cc(O)ccc2N1Cc1ccccc1.
What is the InChIKey of (1-benzyl-5-hydroxy-2-propan-2-yl-2,3-dihydroindol-3-yl)-phenylmethanone?
The InChIKey is HNDSULPQFJFWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/c1-17(2)24-23(25(28)19-11-7-4-8-12-19)21-15-20(27)13-14-22(21)26(24)16-18-9-5-3-6-10-18/h3-15,17,23-24,27H,16H2,1-2H3.
What are the key properties of (1-benzyl-5-hydroxy-2-propan-2-yl-2,3-dihydroindol-3-yl)-phenylmethanone?
(1-benzyl-5-hydroxy-2-propan-2-yl-2,3-dihydroindol-3-yl)-phenylmethanone has a molecular weight of 371.48 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-5-hydroxy-2-propan-2-yl-2,3-dihydroindol-3-yl)-phenylmethanone is sourced from PubChem (CID 70312387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).