5-methoxy-3-[1-(4-methoxyphenyl)-1-phenylbut-1-en-2-yl]-1H-indole

C26H25NO2 — CID 3357216

IUPAC5-methoxy-3-[1-(4-methoxyphenyl)-1-phenylbut-1-en-2-yl]-1H-indole
SMILESCCC(=C(c1ccccc1)c1ccc(OC)cc1)c1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C26H25NO2/c1-4-22(24-17-27-25-15-14-21(29-3)16-23(24)25)26(18-8-6-5-7-9-18)19-10-12-20(28-2)13-11-19/h5-17,27H,4H2,1-3H3
InChIKeyYEYFLXBDKCHVMW-UHFFFAOYSA-N
MW383.49 g/mol
LogP6.55
Rot. Bonds6

About 5-methoxy-3-[1-(4-methoxyphenyl)-1-phenylbut-1-en-2-yl]-1H-indole

5-methoxy-3-[1-(4-methoxyphenyl)-1-phenylbut-1-en-2-yl]-1H-indole (PubChem CID 3357216) has the molecular formula C26H25NO2 and a molecular weight of 383.49 g/mol. Its IUPAC name is 5-methoxy-3-[1-(4-methoxyphenyl)-1-phenylbut-1-en-2-yl]-1H-indole.

Molecular Properties

Compound Name5-methoxy-3-[1-(4-methoxyphenyl)-1-phenylbut-1-en-2-yl]-1H-indole
PubChem CID3357216
Molecular FormulaC26H25NO2
Molecular Weight383.49 g/mol
Exact Mass383.19
IUPAC Name5-methoxy-3-[1-(4-methoxyphenyl)-1-phenylbut-1-en-2-yl]-1H-indole
SMILESCCC(=C(c1ccccc1)c1ccc(OC)cc1)c1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C26H25NO2/c1-4-22(24-17-27-25-15-14-21(29-3)16-23(24)25)26(18-8-6-5-7-9-18)19-10-12-20(28-2)13-11-19/h5-17,27H,4H2,1-3H3
InChIKeyYEYFLXBDKCHVMW-UHFFFAOYSA-N
XLogP6.55
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(Z)-1,2-diphenylbut-1-enyl]-4-methoxybenzene;ethane
CID 170597875
(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
CID 43340483
N,N-diethyl-5-methoxy-1H-indole-3-carboxamide
CID 91755801
1-ethoxy-4-[1-(4-methoxyphenyl)-1-phenylbut-1-en-2-yl]benzene
CID 173277098
N-benzyl-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 113208378
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 44719462
1-(5-methoxy-1H-indol-3-yl)nonan-1-one
CID 65448551
(2-bromophenyl)-(5-methoxy-1H-indol-3-yl)methanone
CID 43340488
N-(2-ethylphenyl)-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 113208450
5-[(Z)-1-(3-methoxyphenyl)-2-phenylbut-1-enyl]-1H-indazole
CID 141327784
ethyl (2S)-2-[[2-(5-methoxy-1H-indol-3-yl)-2-oxoacetyl]amino]-3-phenylpropanoate
CID 14541515
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetaldehyde
CID 50901388

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[1-(4-methoxyphenyl)-1-phenylbut-1-en-2-yl]-1H-indole?
The IUPAC name of 5-methoxy-3-[1-(4-methoxyphenyl)-1-phenylbut-1-en-2-yl]-1H-indole (CID 3357216) is 5-methoxy-3-[1-(4-methoxyphenyl)-1-phenylbut-1-en-2-yl]-1H-indole.
What is the SMILES notation for 5-methoxy-3-[1-(4-methoxyphenyl)-1-phenylbut-1-en-2-yl]-1H-indole?
The canonical SMILES for 5-methoxy-3-[1-(4-methoxyphenyl)-1-phenylbut-1-en-2-yl]-1H-indole is CCC(=C(c1ccccc1)c1ccc(OC)cc1)c1c[nH]c2ccc(OC)cc12.
What is the InChIKey of 5-methoxy-3-[1-(4-methoxyphenyl)-1-phenylbut-1-en-2-yl]-1H-indole?
The InChIKey is YEYFLXBDKCHVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO2/c1-4-22(24-17-27-25-15-14-21(29-3)16-23(24)25)26(18-8-6-5-7-9-18)19-10-12-20(28-2)13-11-19/h5-17,27H,4H2,1-3H3.
What are the key properties of 5-methoxy-3-[1-(4-methoxyphenyl)-1-phenylbut-1-en-2-yl]-1H-indole?
5-methoxy-3-[1-(4-methoxyphenyl)-1-phenylbut-1-en-2-yl]-1H-indole has a molecular weight of 383.49 g/mol, XLogP of 6.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[1-(4-methoxyphenyl)-1-phenylbut-1-en-2-yl]-1H-indole is sourced from PubChem (CID 3357216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).