1-(3,4-dimethoxyphenyl)-2-(2-ethyl-3-prop-2-enylindol-1-yl)ethanol

C23H27NO3 — CID 12025048

IUPAC1-(3,4-dimethoxyphenyl)-2-(2-ethyl-3-prop-2-enylindol-1-yl)ethanol
SMILESC=CCc1c(CC)n(CC(O)c2ccc(OC)c(OC)c2)c2ccccc12
InChIInChI=1S/C23H27NO3/c1-5-9-17-18-10-7-8-11-20(18)24(19(17)6-2)15-21(25)16-12-13-22(26-3)23(14-16)27-4/h5,7-8,10-14,21,25H,1,6,9,15H2,2-4H3
InChIKeyVGWHPSKERHDBQW-UHFFFAOYSA-N
MW365.47 g/mol
LogP4.68
Rot. Bonds8

About 1-(3,4-dimethoxyphenyl)-2-(2-ethyl-3-prop-2-enylindol-1-yl)ethanol

1-(3,4-dimethoxyphenyl)-2-(2-ethyl-3-prop-2-enylindol-1-yl)ethanol (PubChem CID 12025048) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-(2-ethyl-3-prop-2-enylindol-1-yl)ethanol.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-(2-ethyl-3-prop-2-enylindol-1-yl)ethanol
PubChem CID12025048
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name1-(3,4-dimethoxyphenyl)-2-(2-ethyl-3-prop-2-enylindol-1-yl)ethanol
SMILESC=CCc1c(CC)n(CC(O)c2ccc(OC)c(OC)c2)c2ccccc12
InChIInChI=1S/C23H27NO3/c1-5-9-17-18-10-7-8-11-20(18)24(19(17)6-2)15-21(25)16-12-13-22(26-3)23(14-16)27-4/h5,7-8,10-14,21,25H,1,6,9,15H2,2-4H3
InChIKeyVGWHPSKERHDBQW-UHFFFAOYSA-N
XLogP4.68
TPSA43.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(3,4-dimethoxyphenyl)-2-(2-ethyl-3-prop-2-enylindol-1-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(3,4-dimethoxyphenyl)-2-(3-hexadecyl-2-iminobenzimidazol-1-yl)ethanol
CID 98130219
(1R)-2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]-1-(3,4-dimethoxyphenyl)ethanol
CID 1002768
2-[3-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-iminobenzimidazol-1-yl]ethyl-diethylazanium chloride
CID 44658914
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
[3-(3,4-dimethoxyphenyl)-3-hydroxypropyl]-triphenylphosphanium
CID 11284069
1-(3,4-dimethoxyphenyl)-3-methylidenepentan-1-ol
CID 66044092
2-[4-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one
CID 13298564
1,6-bis(3,4-dimethoxyphenyl)hexane-1,6-diol
CID 118987415
1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanol
CID 56686974
(1R)-1-(4-methoxy-3-methylphenyl)but-3-en-1-ol
CID 96823282
(1S)-1-(3,4-dimethoxyphenyl)propane-1,3-diol
CID 92978371
(1R)-2-amino-1-(3,4-dimethoxyphenyl)ethanol;hydrochloride
CID 163203583

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-(2-ethyl-3-prop-2-enylindol-1-yl)ethanol?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-(2-ethyl-3-prop-2-enylindol-1-yl)ethanol (CID 12025048) is 1-(3,4-dimethoxyphenyl)-2-(2-ethyl-3-prop-2-enylindol-1-yl)ethanol.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-(2-ethyl-3-prop-2-enylindol-1-yl)ethanol?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-(2-ethyl-3-prop-2-enylindol-1-yl)ethanol is C=CCc1c(CC)n(CC(O)c2ccc(OC)c(OC)c2)c2ccccc12.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-(2-ethyl-3-prop-2-enylindol-1-yl)ethanol?
The InChIKey is VGWHPSKERHDBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-5-9-17-18-10-7-8-11-20(18)24(19(17)6-2)15-21(25)16-12-13-22(26-3)23(14-16)27-4/h5,7-8,10-14,21,25H,1,6,9,15H2,2-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-(2-ethyl-3-prop-2-enylindol-1-yl)ethanol?
1-(3,4-dimethoxyphenyl)-2-(2-ethyl-3-prop-2-enylindol-1-yl)ethanol has a molecular weight of 365.47 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-(2-ethyl-3-prop-2-enylindol-1-yl)ethanol is sourced from PubChem (CID 12025048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).