1-(4-methylphenyl)-2-(4-phenylmethoxyindol-1-yl)ethanone

C24H21NO2 — CID 84571772

IUPAC1-(4-methylphenyl)-2-(4-phenylmethoxyindol-1-yl)ethanone
SMILESCc1ccc(C(=O)Cn2ccc3c(OCc4ccccc4)cccc32)cc1
InChIInChI=1S/C24H21NO2/c1-18-10-12-20(13-11-18)23(26)16-25-15-14-21-22(25)8-5-9-24(21)27-17-19-6-3-2-4-7-19/h2-15H,16-17H2,1H3
InChIKeyMHMMKGXZDZDWOR-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.41
Rot. Bonds6

About 1-(4-methylphenyl)-2-(4-phenylmethoxyindol-1-yl)ethanone

1-(4-methylphenyl)-2-(4-phenylmethoxyindol-1-yl)ethanone (PubChem CID 84571772) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-(4-phenylmethoxyindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-(4-phenylmethoxyindol-1-yl)ethanone
PubChem CID84571772
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Name1-(4-methylphenyl)-2-(4-phenylmethoxyindol-1-yl)ethanone
SMILESCc1ccc(C(=O)Cn2ccc3c(OCc4ccccc4)cccc32)cc1
InChIInChI=1S/C24H21NO2/c1-18-10-12-20(13-11-18)23(26)16-25-15-14-21-22(25)8-5-9-24(21)27-17-19-6-3-2-4-7-19/h2-15H,16-17H2,1H3
InChIKeyMHMMKGXZDZDWOR-UHFFFAOYSA-N
XLogP5.41
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-2-(4-phenylmethoxyindol-1-yl)ethanone
CID 84571777
N-(2-methoxy-5-methylphenyl)-2-(4-phenylmethoxyindol-1-yl)acetamide
CID 84573070
2,4-dimethyl-6-[2-(4-phenylmethoxyindol-1-yl)acetyl]-1,4-benzoxazin-3-one
CID 84571768
1-ethyl-4-phenylmethoxyindole
CID 24776902
3-methylbutyl 2-(4-phenylmethoxyindol-1-yl)acetate
CID 84573126
1-(bromomethyl)-4-phenylmethoxyindole
CID 59096925
CID 59096793
CID 59096793
N,N-dimethyl-3-(4-phenylmethoxyindol-1-yl)propan-1-amine
CID 84571792
2-(4-ethoxyindol-1-yl)acetic acid
CID 83162473
1-(cyclopropylmethyl)-4-phenylmethoxyindole
CID 69006016
4-phenylmethoxyindole-1-sulfinate
CID 23517350
1-(2-naphthalen-1-yloxyethyl)-4-phenylmethoxyindole
CID 84571556

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-(4-phenylmethoxyindol-1-yl)ethanone?
The IUPAC name of 1-(4-methylphenyl)-2-(4-phenylmethoxyindol-1-yl)ethanone (CID 84571772) is 1-(4-methylphenyl)-2-(4-phenylmethoxyindol-1-yl)ethanone.
What is the SMILES notation for 1-(4-methylphenyl)-2-(4-phenylmethoxyindol-1-yl)ethanone?
The canonical SMILES for 1-(4-methylphenyl)-2-(4-phenylmethoxyindol-1-yl)ethanone is Cc1ccc(C(=O)Cn2ccc3c(OCc4ccccc4)cccc32)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-(4-phenylmethoxyindol-1-yl)ethanone?
The InChIKey is MHMMKGXZDZDWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO2/c1-18-10-12-20(13-11-18)23(26)16-25-15-14-21-22(25)8-5-9-24(21)27-17-19-6-3-2-4-7-19/h2-15H,16-17H2,1H3.
What are the key properties of 1-(4-methylphenyl)-2-(4-phenylmethoxyindol-1-yl)ethanone?
1-(4-methylphenyl)-2-(4-phenylmethoxyindol-1-yl)ethanone has a molecular weight of 355.44 g/mol, XLogP of 5.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-(4-phenylmethoxyindol-1-yl)ethanone is sourced from PubChem (CID 84571772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).