(4-methoxy-1H-indol-3-yl)-(4-methylphenyl)methanone

C17H15NO2 — CID 83163567

IUPAC(4-methoxy-1H-indol-3-yl)-(4-methylphenyl)methanone
SMILESCOc1cccc2[nH]cc(C(=O)c3ccc(C)cc3)c12
InChIInChI=1S/C17H15NO2/c1-11-6-8-12(9-7-11)17(19)13-10-18-14-4-3-5-15(20-2)16(13)14/h3-10,18H,1-2H3
InChIKeyQLKFRWPSLNHFHK-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.72
Rot. Bonds3

About (4-methoxy-1H-indol-3-yl)-(4-methylphenyl)methanone

(4-methoxy-1H-indol-3-yl)-(4-methylphenyl)methanone (PubChem CID 83163567) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is (4-methoxy-1H-indol-3-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(4-methoxy-1H-indol-3-yl)-(4-methylphenyl)methanone
PubChem CID83163567
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name(4-methoxy-1H-indol-3-yl)-(4-methylphenyl)methanone
SMILESCOc1cccc2[nH]cc(C(=O)c3ccc(C)cc3)c12
InChIInChI=1S/C17H15NO2/c1-11-6-8-12(9-7-11)17(19)13-10-18-14-4-3-5-15(20-2)16(13)14/h3-10,18H,1-2H3
InChIKeyQLKFRWPSLNHFHK-UHFFFAOYSA-N
XLogP3.72
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83162948
(3-chloro-5-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164261
(3,5-difluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164240
(3-amino-4-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83166137
(4-chloro-3-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107998406
(3-chloro-2-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107096221
methyl 2-(4-methoxy-1H-indol-3-yl)-2-oxoacetate
CID 53419524
(3-bromo-5-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107950029
(2,3-dichlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164275
(3-bromo-2-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107950032
(2-amino-5-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83166276
(3-chloro-4-methylthiophen-2-yl)-(4-methoxy-1H-indol-3-yl)methanone
CID 103400471

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1H-indol-3-yl)-(4-methylphenyl)methanone?
The IUPAC name of (4-methoxy-1H-indol-3-yl)-(4-methylphenyl)methanone (CID 83163567) is (4-methoxy-1H-indol-3-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (4-methoxy-1H-indol-3-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (4-methoxy-1H-indol-3-yl)-(4-methylphenyl)methanone is COc1cccc2[nH]cc(C(=O)c3ccc(C)cc3)c12.
What is the InChIKey of (4-methoxy-1H-indol-3-yl)-(4-methylphenyl)methanone?
The InChIKey is QLKFRWPSLNHFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-11-6-8-12(9-7-11)17(19)13-10-18-14-4-3-5-15(20-2)16(13)14/h3-10,18H,1-2H3.
What are the key properties of (4-methoxy-1H-indol-3-yl)-(4-methylphenyl)methanone?
(4-methoxy-1H-indol-3-yl)-(4-methylphenyl)methanone has a molecular weight of 265.31 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1H-indol-3-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 83163567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).