(1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone

C38H38N2O6 — CID 157096997

IUPAC(1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone
SMILESCCn1cc(C(=O)c2cccc(OC)c2)c2cc(OC)ccc21.CCn1cc(C(=O)c2cccc(OC)c2)c2ccc(OC)cc21
InChIInChI=1S/2C19H19NO3/c1-4-20-12-17(16-11-15(23-3)8-9-18(16)20)19(21)13-6-5-7-14(10-13)22-2;1-4-20-12-17(16-9-8-15(23-3)11-18(16)20)19(21)13-6-5-7-14(10-13)22-2/h2*5-12H,4H2,1-3H3
InChIKeyAFIBFMCVRYXPSO-UHFFFAOYSA-N
MW618.73 g/mol
LogP7.82
Rot. Bonds10

About (1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone

(1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone (PubChem CID 157096997) has the molecular formula C38H38N2O6 and a molecular weight of 618.73 g/mol. Its IUPAC name is (1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone
PubChem CID157096997
Molecular FormulaC38H38N2O6
Molecular Weight618.73 g/mol
Exact Mass618.27
IUPAC Name(1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone
SMILESCCn1cc(C(=O)c2cccc(OC)c2)c2cc(OC)ccc21.CCn1cc(C(=O)c2cccc(OC)c2)c2ccc(OC)cc21
InChIInChI=1S/2C19H19NO3/c1-4-20-12-17(16-11-15(23-3)8-9-18(16)20)19(21)13-6-5-7-14(10-13)22-2;1-4-20-12-17(16-9-8-15(23-3)11-18(16)20)19(21)13-6-5-7-14(10-13)22-2/h2*5-12H,4H2,1-3H3
InChIKeyAFIBFMCVRYXPSO-UHFFFAOYSA-N
XLogP7.82
TPSA80.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.73
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(4-methoxyphenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 56841530
Jwh 081
CID 10547208
Jwh 302
CID 11493740
Jwh 250
CID 44397540
2-(4-Methoxyphenyl)-1-(1-pentylindol-3-YL)ethanone
CID 44397641
SR-18
CID 53394099
Methanone, (2-methoxy-1-naphthalenyl)(1-pentyl-1H-indol-3-yl)-
CID 11268746
6-Methoxy-1-methyl-1H-indole-3-carbaldehyde
CID 1382010
6-methoxy-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole
CID 11508949
6-(benzyloxy)-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole
CID 11669478
Jwh-166
CID 11372171
5-(oxan-4-ylmethyl)-7-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-2H,5H-[1,3]dioxolo[4,5-f]indole
CID 24768498

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone?
The IUPAC name of (1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone (CID 157096997) is (1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone.
What is the SMILES notation for (1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone?
The canonical SMILES for (1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone is CCn1cc(C(=O)c2cccc(OC)c2)c2cc(OC)ccc21.CCn1cc(C(=O)c2cccc(OC)c2)c2ccc(OC)cc21.
What is the InChIKey of (1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone?
The InChIKey is AFIBFMCVRYXPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H19NO3/c1-4-20-12-17(16-11-15(23-3)8-9-18(16)20)19(21)13-6-5-7-14(10-13)22-2;1-4-20-12-17(16-9-8-15(23-3)11-18(16)20)19(21)13-6-5-7-14(10-13)22-2/h2*5-12H,4H2,1-3H3.
What are the key properties of (1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone?
(1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone has a molecular weight of 618.73 g/mol, XLogP of 7.82, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone is sourced from PubChem (CID 157096997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).