(E)-2-benzyl-3-phenyl-3-phenylmethoxyprop-2-en-1-one;yttrium

C23H18O2Y-2 — CID 58723227

IUPAC(E)-2-benzyl-3-phenyl-3-phenylmethoxyprop-2-en-1-one;yttrium
SMILESO=[C-]/C(Cc1ccccc1)=C(/OCc1ccccc1)c1[c-]cccc1.[Y]
InChIInChI=1S/C23H18O2.Y/c24-17-22(16-19-10-4-1-5-11-19)23(21-14-8-3-9-15-21)25-18-20-12-6-2-7-13-20;/h1-14H,16,18H2;/q-2;/b23-22+;
InChIKeyGKDVPXMQFDWHJI-PGCQSHBKSA-N
MW415.30 g/mol
LogP4.76
Rot. Bonds7

About (E)-2-benzyl-3-phenyl-3-phenylmethoxyprop-2-en-1-one;yttrium

(E)-2-benzyl-3-phenyl-3-phenylmethoxyprop-2-en-1-one;yttrium (PubChem CID 58723227) has the molecular formula C23H18O2Y-2 and a molecular weight of 415.30 g/mol. Its IUPAC name is (E)-2-benzyl-3-phenyl-3-phenylmethoxyprop-2-en-1-one;yttrium.

Molecular Properties

Compound Name(E)-2-benzyl-3-phenyl-3-phenylmethoxyprop-2-en-1-one;yttrium
PubChem CID58723227
Molecular FormulaC23H18O2Y-2
Molecular Weight415.30 g/mol
Exact Mass415.04
IUPAC Name(E)-2-benzyl-3-phenyl-3-phenylmethoxyprop-2-en-1-one;yttrium
SMILESO=[C-]/C(Cc1ccccc1)=C(/OCc1ccccc1)c1[c-]cccc1.[Y]
InChIInChI=1S/C23H18O2.Y/c24-17-22(16-19-10-4-1-5-11-19)23(21-14-8-3-9-15-21)25-18-20-12-6-2-7-13-20;/h1-14H,16,18H2;/q-2;/b23-22+;
InChIKeyGKDVPXMQFDWHJI-PGCQSHBKSA-N
XLogP4.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.30
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-2-benzyl-3-phenyl-3-phenylmethoxyprop-2-en-1-one;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

CID 174906307
CID 174906307
tetrabenzyl propane-1,1,3,3-tetracarboxylate
CID 139256040
benzyl phenylmethoxycarbonyl carbonate
CID 3649378
benzyl carbamate;heptahydrochloride
CID 141351835
benzyl carbonochloridate
CID 10387
benzyl acetate
CID 8785
dibenzyl 2-(2,2-difluoroethyl)propanedioate
CID 177361519
benzyl benzoate;2-phenylacetic acid
CID 70386781
benzyl (2S)-2-aminopropanoate
CID 726858
3-phenylmethoxybut-2-en-2-yloxymethylbenzene
CID 86006666
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
benzyl N-(N-phenylanilino)carbamate
CID 71360694

Frequently Asked Questions

What is the IUPAC name of (E)-2-benzyl-3-phenyl-3-phenylmethoxyprop-2-en-1-one;yttrium?
The IUPAC name of (E)-2-benzyl-3-phenyl-3-phenylmethoxyprop-2-en-1-one;yttrium (CID 58723227) is (E)-2-benzyl-3-phenyl-3-phenylmethoxyprop-2-en-1-one;yttrium.
What is the SMILES notation for (E)-2-benzyl-3-phenyl-3-phenylmethoxyprop-2-en-1-one;yttrium?
The canonical SMILES for (E)-2-benzyl-3-phenyl-3-phenylmethoxyprop-2-en-1-one;yttrium is O=[C-]/C(Cc1ccccc1)=C(/OCc1ccccc1)c1[c-]cccc1.[Y].
What is the InChIKey of (E)-2-benzyl-3-phenyl-3-phenylmethoxyprop-2-en-1-one;yttrium?
The InChIKey is GKDVPXMQFDWHJI-PGCQSHBKSA-N. The full InChI is InChI=1S/C23H18O2.Y/c24-17-22(16-19-10-4-1-5-11-19)23(21-14-8-3-9-15-21)25-18-20-12-6-2-7-13-20;/h1-14H,16,18H2;/q-2;/b23-22+;.
What are the key properties of (E)-2-benzyl-3-phenyl-3-phenylmethoxyprop-2-en-1-one;yttrium?
(E)-2-benzyl-3-phenyl-3-phenylmethoxyprop-2-en-1-one;yttrium has a molecular weight of 415.30 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-benzyl-3-phenyl-3-phenylmethoxyprop-2-en-1-one;yttrium is sourced from PubChem (CID 58723227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).