acetic acid;ethenyl 2,3-diphenylprop-2-enoate

C19H18O4 — CID 174744472

IUPACacetic acid;ethenyl 2,3-diphenylprop-2-enoate
SMILESC=COC(=O)C(=Cc1ccccc1)c1ccccc1.CC(=O)O
InChIInChI=1S/C17H14O2.C2H4O2/c1-2-19-17(18)16(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14;1-2(3)4/h2-13H,1H2;1H3,(H,3,4)
InChIKeyODKYXVHPDXZXCW-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.00
Rot. Bonds4

About acetic acid;ethenyl 2,3-diphenylprop-2-enoate

acetic acid;ethenyl 2,3-diphenylprop-2-enoate (PubChem CID 174744472) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is acetic acid;ethenyl 2,3-diphenylprop-2-enoate.

Molecular Properties

Compound Nameacetic acid;ethenyl 2,3-diphenylprop-2-enoate
PubChem CID174744472
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Nameacetic acid;ethenyl 2,3-diphenylprop-2-enoate
SMILESC=COC(=O)C(=Cc1ccccc1)c1ccccc1.CC(=O)O
InChIInChI=1S/C17H14O2.C2H4O2/c1-2-19-17(18)16(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14;1-2(3)4/h2-13H,1H2;1H3,(H,3,4)
InChIKeyODKYXVHPDXZXCW-UHFFFAOYSA-N
XLogP4.00
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethenyl (Z)-2,3-diphenylprop-2-enoate
CID 19093241
ethenyl benzoate;2-methylprop-1-ene
CID 174957134
4-methyl-1,2-diphenylpent-1-en-3-one
CID 54502058
2-hydroxyethyl (Z)-2,3-diphenylprop-2-enoate
CID 173477816
ethyl (2E,4Z)-2,3-dimethyl-4,5-diphenylpenta-2,4-dienoate
CID 72736843
methyl (E)-3-(4-bromophenyl)-2-phenylprop-2-enoate
CID 102281008
(Z)-2,3-diphenylprop-2-enamide
CID 6016357
(Z)-2,3-diphenylprop-2-enoyl chloride
CID 12558834
ethenyl benzoate
CID 158178912
but-2-enedioic acid;ethenyl acetate;styrene
CID 159833587
methyl (2E,4E)-3,4,5-triphenylpenta-2,4-dienoate
CID 101482031
2-(2,3-diphenylprop-2-enoyloxy)ethyl-dimethylazanium;hydrochloride
CID 53446850

Frequently Asked Questions

What is the IUPAC name of acetic acid;ethenyl 2,3-diphenylprop-2-enoate?
The IUPAC name of acetic acid;ethenyl 2,3-diphenylprop-2-enoate (CID 174744472) is acetic acid;ethenyl 2,3-diphenylprop-2-enoate.
What is the SMILES notation for acetic acid;ethenyl 2,3-diphenylprop-2-enoate?
The canonical SMILES for acetic acid;ethenyl 2,3-diphenylprop-2-enoate is C=COC(=O)C(=Cc1ccccc1)c1ccccc1.CC(=O)O.
What is the InChIKey of acetic acid;ethenyl 2,3-diphenylprop-2-enoate?
The InChIKey is ODKYXVHPDXZXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2.C2H4O2/c1-2-19-17(18)16(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14;1-2(3)4/h2-13H,1H2;1H3,(H,3,4).
What are the key properties of acetic acid;ethenyl 2,3-diphenylprop-2-enoate?
acetic acid;ethenyl 2,3-diphenylprop-2-enoate has a molecular weight of 310.35 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;ethenyl 2,3-diphenylprop-2-enoate is sourced from PubChem (CID 174744472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).