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

C23H21NO3 — CID 4127305

IUPACfuran-2-yl-[1-[3-(2-methylphenoxy)propyl]indol-3-yl]methanone
SMILESCc1ccccc1OCCCn1cc(C(=O)c2ccco2)c2ccccc21
InChIInChI=1S/C23H21NO3/c1-17-8-2-5-11-21(17)26-15-7-13-24-16-19(18-9-3-4-10-20(18)24)23(25)22-12-6-14-27-22/h2-6,8-12,14,16H,7,13,15H2,1H3
InChIKeyXDTOVFMYTDHZCX-UHFFFAOYSA-N
MW359.43 g/mol
LogP5.24
Rot. Bonds7

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

furan-2-yl-[1-[3-(2-methylphenoxy)propyl]indol-3-yl]methanone (PubChem CID 4127305) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is furan-2-yl-[1-[3-(2-methylphenoxy)propyl]indol-3-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[1-[3-(2-methylphenoxy)propyl]indol-3-yl]methanone
PubChem CID4127305
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Namefuran-2-yl-[1-[3-(2-methylphenoxy)propyl]indol-3-yl]methanone
SMILESCc1ccccc1OCCCn1cc(C(=O)c2ccco2)c2ccccc21
InChIInChI=1S/C23H21NO3/c1-17-8-2-5-11-21(17)26-15-7-13-24-16-19(18-9-3-4-10-20(18)24)23(25)22-12-6-14-27-22/h2-6,8-12,14,16H,7,13,15H2,1H3
InChIKeyXDTOVFMYTDHZCX-UHFFFAOYSA-N
XLogP5.24
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.43
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-[3-(2-methylphenoxy)propyl]indol-3-yl]-phenylmethanone
CID 4524878
2,2-dimethyl-1-[1-[3-(2-methylphenoxy)propyl]indol-3-yl]propan-1-one
CID 4320218
[1-[(4-fluorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone
CID 955151
1-[3-(2,5-dimethylphenoxy)propyl]indole-3-carboxylic acid
CID 22332903
2-[3-(furan-2-carbonyl)indol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 2975165
[1-[(4-chlorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone
CID 955150
[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone
CID 21373665
cyclopropyl-[1-[3-(2,5-dimethylphenoxy)propyl]indol-3-yl]methanone
CID 2213955
2-[3-(furan-2-carbonyl)indol-1-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 1096041
(5E)-1-(furan-2-ylmethyl)-5-[[1-[3-(2-methylphenoxy)propyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 6064855
(5Z)-3-(furan-2-ylmethyl)-5-[[1-[3-(2-methylphenoxy)propyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126132750
N-[2-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16975510

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[1-[3-(2-methylphenoxy)propyl]indol-3-yl]methanone?
The IUPAC name of furan-2-yl-[1-[3-(2-methylphenoxy)propyl]indol-3-yl]methanone (CID 4127305) is furan-2-yl-[1-[3-(2-methylphenoxy)propyl]indol-3-yl]methanone.
What is the SMILES notation for furan-2-yl-[1-[3-(2-methylphenoxy)propyl]indol-3-yl]methanone?
The canonical SMILES for furan-2-yl-[1-[3-(2-methylphenoxy)propyl]indol-3-yl]methanone is Cc1ccccc1OCCCn1cc(C(=O)c2ccco2)c2ccccc21.
What is the InChIKey of furan-2-yl-[1-[3-(2-methylphenoxy)propyl]indol-3-yl]methanone?
The InChIKey is XDTOVFMYTDHZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c1-17-8-2-5-11-21(17)26-15-7-13-24-16-19(18-9-3-4-10-20(18)24)23(25)22-12-6-14-27-22/h2-6,8-12,14,16H,7,13,15H2,1H3.
What are the key properties of furan-2-yl-[1-[3-(2-methylphenoxy)propyl]indol-3-yl]methanone?
furan-2-yl-[1-[3-(2-methylphenoxy)propyl]indol-3-yl]methanone has a molecular weight of 359.43 g/mol, XLogP of 5.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[1-[3-(2-methylphenoxy)propyl]indol-3-yl]methanone is sourced from PubChem (CID 4127305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).