(E)-2-phenyl-3-phenylprop-2-enoic acid;yttrium

C15H11O2Y- — CID 59041030

IUPAC(E)-2-phenyl-3-phenylprop-2-enoic acid;yttrium
SMILESO=C(O)/C(=C/c1cc[c-]cc1)c1ccccc1.[Y]
InChIInChI=1S/C15H11O2.Y/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12;/h2-11H,(H,16,17);/q-1;/b14-11+;
InChIKeyKERKPJCUBVJIHK-JHGYPSGKSA-N
MW312.16 g/mol
LogP3.11
Rot. Bonds3

About (E)-2-phenyl-3-phenylprop-2-enoic acid;yttrium

(E)-2-phenyl-3-phenylprop-2-enoic acid;yttrium (PubChem CID 59041030) has the molecular formula C15H11O2Y- and a molecular weight of 312.16 g/mol. Its IUPAC name is (E)-2-phenyl-3-phenylprop-2-enoic acid;yttrium.

Molecular Properties

Compound Name(E)-2-phenyl-3-phenylprop-2-enoic acid;yttrium
PubChem CID59041030
Molecular FormulaC15H11O2Y-
Molecular Weight312.16 g/mol
Exact Mass311.98
IUPAC Name(E)-2-phenyl-3-phenylprop-2-enoic acid;yttrium
SMILESO=C(O)/C(=C/c1cc[c-]cc1)c1ccccc1.[Y]
InChIInChI=1S/C15H11O2.Y/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12;/h2-11H,(H,16,17);/q-1;/b14-11+;
InChIKeyKERKPJCUBVJIHK-JHGYPSGKSA-N
XLogP3.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(4-tert-butylphenyl)-2-phenylprop-2-enoic acid
CID 43344010
(Z)-2-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 43244487
(Z)-2,3-bis(4-chlorophenyl)prop-2-enoic acid
CID 6276844
3-(3,5-dimethylphenyl)-2-phenylprop-2-enoic acid
CID 76916002
2H-benzotriazole;2,3-diphenylprop-2-enoic acid
CID 174921098
(Z)-3-(4-acetyloxyphenyl)-2-phenylprop-2-enoic acid
CID 102239549
3-(3-chloro-4-hydroxyphenyl)-2-phenylprop-2-enoic acid
CID 76914513
(Z)-2,3-diphenylprop-2-enoyl chloride
CID 12558834
(Z)-2,3-diphenylprop-2-enamide
CID 6016357
(E)-3-(3-aminophenyl)-2-phenylprop-2-enoic acid
CID 102461525
(E)-3-(4-hydroxy-3,5-diiodophenyl)-2-phenylprop-2-enoic acid
CID 23619429
(E)-2-(4-ethylphenyl)-3-phenylprop-2-enoic acid
CID 125466600

Frequently Asked Questions

What is the IUPAC name of (E)-2-phenyl-3-phenylprop-2-enoic acid;yttrium?
The IUPAC name of (E)-2-phenyl-3-phenylprop-2-enoic acid;yttrium (CID 59041030) is (E)-2-phenyl-3-phenylprop-2-enoic acid;yttrium.
What is the SMILES notation for (E)-2-phenyl-3-phenylprop-2-enoic acid;yttrium?
The canonical SMILES for (E)-2-phenyl-3-phenylprop-2-enoic acid;yttrium is O=C(O)/C(=C/c1cc[c-]cc1)c1ccccc1.[Y].
What is the InChIKey of (E)-2-phenyl-3-phenylprop-2-enoic acid;yttrium?
The InChIKey is KERKPJCUBVJIHK-JHGYPSGKSA-N. The full InChI is InChI=1S/C15H11O2.Y/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12;/h2-11H,(H,16,17);/q-1;/b14-11+;.
What are the key properties of (E)-2-phenyl-3-phenylprop-2-enoic acid;yttrium?
(E)-2-phenyl-3-phenylprop-2-enoic acid;yttrium has a molecular weight of 312.16 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-phenyl-3-phenylprop-2-enoic acid;yttrium is sourced from PubChem (CID 59041030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).