[1-[3-(2-methylphenoxy)propyl]indol-3-yl]-phenylmethanone

C25H23NO2 — CID 4524878

IUPAC[1-[3-(2-methylphenoxy)propyl]indol-3-yl]-phenylmethanone
SMILESCc1ccccc1OCCCn1cc(C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C25H23NO2/c1-19-10-5-8-15-24(19)28-17-9-16-26-18-22(21-13-6-7-14-23(21)26)25(27)20-11-3-2-4-12-20/h2-8,10-15,18H,9,16-17H2,1H3
InChIKeyKMPMBWZOTXYLSO-UHFFFAOYSA-N
MW369.46 g/mol
LogP5.65
Rot. Bonds7

About [1-[3-(2-methylphenoxy)propyl]indol-3-yl]-phenylmethanone

[1-[3-(2-methylphenoxy)propyl]indol-3-yl]-phenylmethanone (PubChem CID 4524878) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is [1-[3-(2-methylphenoxy)propyl]indol-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-[3-(2-methylphenoxy)propyl]indol-3-yl]-phenylmethanone
PubChem CID4524878
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC Name[1-[3-(2-methylphenoxy)propyl]indol-3-yl]-phenylmethanone
SMILESCc1ccccc1OCCCn1cc(C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C25H23NO2/c1-19-10-5-8-15-24(19)28-17-9-16-26-18-22(21-13-6-7-14-23(21)26)25(27)20-11-3-2-4-12-20/h2-8,10-15,18H,9,16-17H2,1H3
InChIKeyKMPMBWZOTXYLSO-UHFFFAOYSA-N
XLogP5.65
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-1-[1-[3-(2-methylphenoxy)propyl]indol-3-yl]propan-1-one
CID 4320218
furan-2-yl-[1-[3-(2-methylphenoxy)propyl]indol-3-yl]methanone
CID 4127305
1-[3-(2,5-dimethylphenoxy)propyl]indole-3-carboxylic acid
CID 22332903
(4-methylphenyl)-(1-pentylindol-3-yl)methanone
CID 170857148
4-[3-(4-hexoxybenzoyl)indol-1-yl]butanoic acid
CID 54054546
cyclopropyl-[1-[3-(2,5-dimethylphenoxy)propyl]indol-3-yl]methanone
CID 2213955
(4-methylphenyl)-(1-propylindol-3-yl)methanone
CID 170857121
3-[1-[2-(2-chlorophenoxy)ethyl]indole-3-carbonyl]-N-methylbenzamide
CID 146154131
(1-decylindol-3-yl)-(4-iodophenyl)methanone
CID 170857204
ethyl 4-[3-(4-methoxybenzoyl)indol-1-yl]butanoate
CID 10959466
5-[3-(4-methylnaphthalene-1-carbonyl)indol-1-yl]pentanoic acid
CID 91864527
(4-ethoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 45267043

Frequently Asked Questions

What is the IUPAC name of [1-[3-(2-methylphenoxy)propyl]indol-3-yl]-phenylmethanone?
The IUPAC name of [1-[3-(2-methylphenoxy)propyl]indol-3-yl]-phenylmethanone (CID 4524878) is [1-[3-(2-methylphenoxy)propyl]indol-3-yl]-phenylmethanone.
What is the SMILES notation for [1-[3-(2-methylphenoxy)propyl]indol-3-yl]-phenylmethanone?
The canonical SMILES for [1-[3-(2-methylphenoxy)propyl]indol-3-yl]-phenylmethanone is Cc1ccccc1OCCCn1cc(C(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of [1-[3-(2-methylphenoxy)propyl]indol-3-yl]-phenylmethanone?
The InChIKey is KMPMBWZOTXYLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO2/c1-19-10-5-8-15-24(19)28-17-9-16-26-18-22(21-13-6-7-14-23(21)26)25(27)20-11-3-2-4-12-20/h2-8,10-15,18H,9,16-17H2,1H3.
What are the key properties of [1-[3-(2-methylphenoxy)propyl]indol-3-yl]-phenylmethanone?
[1-[3-(2-methylphenoxy)propyl]indol-3-yl]-phenylmethanone has a molecular weight of 369.46 g/mol, XLogP of 5.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2-methylphenoxy)propyl]indol-3-yl]-phenylmethanone is sourced from PubChem (CID 4524878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).