[1-ethyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-2-yl]methanol

C22H25NO4 — CID 166629762

IUPAC[1-ethyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-2-yl]methanol
SMILESC=C(c1cc(OC)c(OC)c(OC)c1)c1ccc2c(c1)cc(CO)n2CC
InChIInChI=1S/C22H25NO4/c1-6-23-18(13-24)10-17-9-15(7-8-19(17)23)14(2)16-11-20(25-3)22(27-5)21(12-16)26-4/h7-12,24H,2,6,13H2,1,3-5H3
InChIKeyPPSQAHKAJPMVKE-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.24
Rot. Bonds7

About [1-ethyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-2-yl]methanol

[1-ethyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-2-yl]methanol (PubChem CID 166629762) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is [1-ethyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-2-yl]methanol.

Molecular Properties

Compound Name[1-ethyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-2-yl]methanol
PubChem CID166629762
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name[1-ethyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-2-yl]methanol
SMILESC=C(c1cc(OC)c(OC)c(OC)c1)c1ccc2c(c1)cc(CO)n2CC
InChIInChI=1S/C22H25NO4/c1-6-23-18(13-24)10-17-9-15(7-8-19(17)23)14(2)16-11-20(25-3)22(27-5)21(12-16)26-4/h7-12,24H,2,6,13H2,1,3-5H3
InChIKeyPPSQAHKAJPMVKE-UHFFFAOYSA-N
XLogP4.24
TPSA52.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Methyl-5-[1-(3,4,5-trimethoxyphenyl)ethyl]indole
CID 52914800
1-methyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]indole-3-carbonitrile
CID 145980793
(NE)-N-[[1-methyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methylidene]hydroxylamine
CID 145988046
4,5,6-Trimethoxy-1-(4-methoxyphenyl)indole
CID 54768148
2-Methoxy-5-(4,5,6-trimethoxyindol-1-yl)phenol
CID 54768181
1-Methyl-5-[(S)-5-(3,4,5-trimethoxy-phenyl)-4,5-dihydro-oxazol-2-yl]-1H-indole
CID 10044425
1-Methyl-5-[(Z)-2-(3,4,5-trimethoxy-phenyl)-vinyl]-1H-indole
CID 11255762
(Z)-5-[2-(3,5-Dimethoxy-phenyl)-vinyl]-1-methyl-1H-indole
CID 25050336
[2-(hydroxymethyl)-1-(3,4,5-trimethoxyphenyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol
CID 42599623
(1-Methylindol-5-yl)-(3,4,5-trimethoxyphenyl)methanol
CID 44432046
(NZ)-N-[(1-methylindol-5-yl)-(2,3,4-trimethoxyphenyl)methylidene]hydroxylamine
CID 45113907
1-Methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indole
CID 68331747

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-2-yl]methanol?
The IUPAC name of [1-ethyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-2-yl]methanol (CID 166629762) is [1-ethyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-2-yl]methanol.
What is the SMILES notation for [1-ethyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-2-yl]methanol?
The canonical SMILES for [1-ethyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-2-yl]methanol is C=C(c1cc(OC)c(OC)c(OC)c1)c1ccc2c(c1)cc(CO)n2CC.
What is the InChIKey of [1-ethyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-2-yl]methanol?
The InChIKey is PPSQAHKAJPMVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-6-23-18(13-24)10-17-9-15(7-8-19(17)23)14(2)16-11-20(25-3)22(27-5)21(12-16)26-4/h7-12,24H,2,6,13H2,1,3-5H3.
What are the key properties of [1-ethyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-2-yl]methanol?
[1-ethyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-2-yl]methanol has a molecular weight of 367.45 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-2-yl]methanol is sourced from PubChem (CID 166629762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).