methanol;(E)-2-[1-[2-(4-methoxyphenyl)ethylamino]-2,3-dihydro-1H-inden-5-yl]ethenol;yttrium

C21H27NO3Y — CID 155703967

IUPACmethanol;(E)-2-[1-[2-(4-methoxyphenyl)ethylamino]-2,3-dihydro-1H-inden-5-yl]ethenol;yttrium
SMILESCO.COc1ccc(CCNC2CCc3cc(/C=C/O)ccc32)cc1.[Y]
InChIInChI=1S/C20H23NO2.CH4O.Y/c1-23-18-6-2-15(3-7-18)10-12-21-20-9-5-17-14-16(11-13-22)4-8-19(17)20;1-2;/h2-4,6-8,11,13-14,20-22H,5,9-10,12H2,1H3;2H,1H3;/b13-11+;;
InChIKeySJQQLHIYNRWPDC-UAIOKUCGSA-N
MW430.36 g/mol
LogP3.65
Rot. Bonds6

About methanol;(E)-2-[1-[2-(4-methoxyphenyl)ethylamino]-2,3-dihydro-1H-inden-5-yl]ethenol;yttrium

methanol;(E)-2-[1-[2-(4-methoxyphenyl)ethylamino]-2,3-dihydro-1H-inden-5-yl]ethenol;yttrium (PubChem CID 155703967) has the molecular formula C21H27NO3Y and a molecular weight of 430.36 g/mol. Its IUPAC name is methanol;(E)-2-[1-[2-(4-methoxyphenyl)ethylamino]-2,3-dihydro-1H-inden-5-yl]ethenol;yttrium.

Molecular Properties

Compound Namemethanol;(E)-2-[1-[2-(4-methoxyphenyl)ethylamino]-2,3-dihydro-1H-inden-5-yl]ethenol;yttrium
PubChem CID155703967
Molecular FormulaC21H27NO3Y
Molecular Weight430.36 g/mol
Exact Mass430.10
IUPAC Namemethanol;(E)-2-[1-[2-(4-methoxyphenyl)ethylamino]-2,3-dihydro-1H-inden-5-yl]ethenol;yttrium
SMILESCO.COc1ccc(CCNC2CCc3cc(/C=C/O)ccc32)cc1.[Y]
InChIInChI=1S/C20H23NO2.CH4O.Y/c1-23-18-6-2-15(3-7-18)10-12-21-20-9-5-17-14-16(11-13-22)4-8-19(17)20;1-2;/h2-4,6-8,11,13-14,20-22H,5,9-10,12H2,1H3;2H,1H3;/b13-11+;;
InChIKeySJQQLHIYNRWPDC-UAIOKUCGSA-N
XLogP3.65
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.36
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze methanol;(E)-2-[1-[2-(4-methoxyphenyl)ethylamino]-2,3-dihydro-1H-inden-5-yl]ethenol;yttrium 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

(E)-2-[1-[2-(3,5-dichlorophenyl)ethylamino]-2,3-dihydro-1H-inden-5-yl]ethenol;yttrium;hydrate
CID 155703898
methyl 3-[1-[2-(3,5-dimethoxyphenyl)ethylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate
CID 76837961
methyl (E)-3-[1-(2-pyridin-4-ylethylamino)-2,3-dihydro-1H-inden-5-yl]prop-2-enoate
CID 58613989
(E)-3-[1-[2-(4-fluorophenyl)ethylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid
CID 155181143
(E)-3-[1-[2-(3,4-dimethylphenyl)ethylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
CID 58614285
N-[2-(3-methoxyphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103777702
methyl 3-[1-[2-(2-methoxyphenyl)ethylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate
CID 76838247
methyl 3-[1-[2-(2-methylphenyl)ethylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate
CID 76838391
methyl 3-[1-[2-(2-chlorophenyl)ethylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate
CID 76838007
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 3016750
methyl (E)-3-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate
CID 58614548
ethyl (E)-3-[1-[(4-methoxybenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate
CID 155181465

Frequently Asked Questions

What is the IUPAC name of methanol;(E)-2-[1-[2-(4-methoxyphenyl)ethylamino]-2,3-dihydro-1H-inden-5-yl]ethenol;yttrium?
The IUPAC name of methanol;(E)-2-[1-[2-(4-methoxyphenyl)ethylamino]-2,3-dihydro-1H-inden-5-yl]ethenol;yttrium (CID 155703967) is methanol;(E)-2-[1-[2-(4-methoxyphenyl)ethylamino]-2,3-dihydro-1H-inden-5-yl]ethenol;yttrium.
What is the SMILES notation for methanol;(E)-2-[1-[2-(4-methoxyphenyl)ethylamino]-2,3-dihydro-1H-inden-5-yl]ethenol;yttrium?
The canonical SMILES for methanol;(E)-2-[1-[2-(4-methoxyphenyl)ethylamino]-2,3-dihydro-1H-inden-5-yl]ethenol;yttrium is CO.COc1ccc(CCNC2CCc3cc(/C=C/O)ccc32)cc1.[Y].
What is the InChIKey of methanol;(E)-2-[1-[2-(4-methoxyphenyl)ethylamino]-2,3-dihydro-1H-inden-5-yl]ethenol;yttrium?
The InChIKey is SJQQLHIYNRWPDC-UAIOKUCGSA-N. The full InChI is InChI=1S/C20H23NO2.CH4O.Y/c1-23-18-6-2-15(3-7-18)10-12-21-20-9-5-17-14-16(11-13-22)4-8-19(17)20;1-2;/h2-4,6-8,11,13-14,20-22H,5,9-10,12H2,1H3;2H,1H3;/b13-11+;;.
What are the key properties of methanol;(E)-2-[1-[2-(4-methoxyphenyl)ethylamino]-2,3-dihydro-1H-inden-5-yl]ethenol;yttrium?
methanol;(E)-2-[1-[2-(4-methoxyphenyl)ethylamino]-2,3-dihydro-1H-inden-5-yl]ethenol;yttrium has a molecular weight of 430.36 g/mol, XLogP of 3.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;(E)-2-[1-[2-(4-methoxyphenyl)ethylamino]-2,3-dihydro-1H-inden-5-yl]ethenol;yttrium is sourced from PubChem (CID 155703967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).