(3,5-dimethoxyphenyl)-(5-methoxy-1H-indol-2-yl)methanone

C18H17NO4 — CID 10403180

IUPAC(3,5-dimethoxyphenyl)-(5-methoxy-1H-indol-2-yl)methanone
SMILESCOc1cc(OC)cc(C(=O)c2cc3cc(OC)ccc3[nH]2)c1
InChIInChI=1S/C18H17NO4/c1-21-13-4-5-16-11(6-13)9-17(19-16)18(20)12-7-14(22-2)10-15(8-12)23-3/h4-10,19H,1-3H3
InChIKeyXAQONWJORJYSDY-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.42
Rot. Bonds5

About (3,5-dimethoxyphenyl)-(5-methoxy-1H-indol-2-yl)methanone

(3,5-dimethoxyphenyl)-(5-methoxy-1H-indol-2-yl)methanone (PubChem CID 10403180) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-(5-methoxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-(5-methoxy-1H-indol-2-yl)methanone
PubChem CID10403180
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name(3,5-dimethoxyphenyl)-(5-methoxy-1H-indol-2-yl)methanone
SMILESCOc1cc(OC)cc(C(=O)c2cc3cc(OC)ccc3[nH]2)c1
InChIInChI=1S/C18H17NO4/c1-21-13-4-5-16-11(6-13)9-17(19-16)18(20)12-7-14(22-2)10-15(8-12)23-3/h4-10,19H,1-3H3
InChIKeyXAQONWJORJYSDY-UHFFFAOYSA-N
XLogP3.42
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(5-methoxy-1H-indole-2-carbonyl)phenyl] 3-hydroxypropanoate
CID 59088764
[3-(5-methoxy-1H-indole-2-carbonyl)phenyl] butanoate
CID 11142302
(6-chloro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)methanone
CID 11688408
N,5-dimethoxy-N-methyl-1H-indole-2-carboxamide
CID 23003326
5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847836
cyclobutyl-(5-methoxy-1H-indol-2-yl)methanone
CID 10955347
N-(aminomethylidene)-5-methoxy-1H-indole-2-carboxamide
CID 123205970
(2S)-2-[(5-methoxy-1H-indole-2-carbonyl)amino]propanoic acid
CID 110834885
(5-methoxyindol-1-yl)-(5-methoxy-1H-indol-2-yl)methanone
CID 139083916
(3,5-dimethylphenyl)-[4-(5-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53013228
5-methoxy-N-[(2S)-1-methoxypropan-2-yl]-1H-indole-2-carboxamide
CID 6926471
(3-aminooxy-5-hydroxyphenyl)-(5-methyl-1H-indol-2-yl)methanone
CID 91015515

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-(5-methoxy-1H-indol-2-yl)methanone?
The IUPAC name of (3,5-dimethoxyphenyl)-(5-methoxy-1H-indol-2-yl)methanone (CID 10403180) is (3,5-dimethoxyphenyl)-(5-methoxy-1H-indol-2-yl)methanone.
What is the SMILES notation for (3,5-dimethoxyphenyl)-(5-methoxy-1H-indol-2-yl)methanone?
The canonical SMILES for (3,5-dimethoxyphenyl)-(5-methoxy-1H-indol-2-yl)methanone is COc1cc(OC)cc(C(=O)c2cc3cc(OC)ccc3[nH]2)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-(5-methoxy-1H-indol-2-yl)methanone?
The InChIKey is XAQONWJORJYSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-21-13-4-5-16-11(6-13)9-17(19-16)18(20)12-7-14(22-2)10-15(8-12)23-3/h4-10,19H,1-3H3.
What are the key properties of (3,5-dimethoxyphenyl)-(5-methoxy-1H-indol-2-yl)methanone?
(3,5-dimethoxyphenyl)-(5-methoxy-1H-indol-2-yl)methanone has a molecular weight of 311.34 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-(5-methoxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 10403180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).