[1-(1-methoxypropan-2-yl)-2-propan-2-ylindol-3-yl]-phenylmethanone

C22H25NO2 — CID 70528660

IUPAC[1-(1-methoxypropan-2-yl)-2-propan-2-ylindol-3-yl]-phenylmethanone
SMILESCOCC(C)n1c(C(C)C)c(C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C22H25NO2/c1-15(2)21-20(22(24)17-10-6-5-7-11-17)18-12-8-9-13-19(18)23(21)16(3)14-25-4/h5-13,15-16H,14H2,1-4H3
InChIKeyCESZCZCTIOQSSH-UHFFFAOYSA-N
MW335.45 g/mol
LogP5.20
Rot. Bonds6

About [1-(1-methoxypropan-2-yl)-2-propan-2-ylindol-3-yl]-phenylmethanone

[1-(1-methoxypropan-2-yl)-2-propan-2-ylindol-3-yl]-phenylmethanone (PubChem CID 70528660) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is [1-(1-methoxypropan-2-yl)-2-propan-2-ylindol-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(1-methoxypropan-2-yl)-2-propan-2-ylindol-3-yl]-phenylmethanone
PubChem CID70528660
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name[1-(1-methoxypropan-2-yl)-2-propan-2-ylindol-3-yl]-phenylmethanone
SMILESCOCC(C)n1c(C(C)C)c(C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C22H25NO2/c1-15(2)21-20(22(24)17-10-6-5-7-11-17)18-12-8-9-13-19(18)23(21)16(3)14-25-4/h5-13,15-16H,14H2,1-4H3
InChIKeyCESZCZCTIOQSSH-UHFFFAOYSA-N
XLogP5.20
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.45
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(1-methoxypropan-2-yl)-2-propan-2-ylindol-3-yl]-phenylmethanone?
The IUPAC name of [1-(1-methoxypropan-2-yl)-2-propan-2-ylindol-3-yl]-phenylmethanone (CID 70528660) is [1-(1-methoxypropan-2-yl)-2-propan-2-ylindol-3-yl]-phenylmethanone.
What is the SMILES notation for [1-(1-methoxypropan-2-yl)-2-propan-2-ylindol-3-yl]-phenylmethanone?
The canonical SMILES for [1-(1-methoxypropan-2-yl)-2-propan-2-ylindol-3-yl]-phenylmethanone is COCC(C)n1c(C(C)C)c(C(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of [1-(1-methoxypropan-2-yl)-2-propan-2-ylindol-3-yl]-phenylmethanone?
The InChIKey is CESZCZCTIOQSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-15(2)21-20(22(24)17-10-6-5-7-11-17)18-12-8-9-13-19(18)23(21)16(3)14-25-4/h5-13,15-16H,14H2,1-4H3.
What are the key properties of [1-(1-methoxypropan-2-yl)-2-propan-2-ylindol-3-yl]-phenylmethanone?
[1-(1-methoxypropan-2-yl)-2-propan-2-ylindol-3-yl]-phenylmethanone has a molecular weight of 335.45 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methoxypropan-2-yl)-2-propan-2-ylindol-3-yl]-phenylmethanone is sourced from PubChem (CID 70528660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).