ethyl (Z)-3-(3-methylphenyl)-3-phenylprop-2-enoate

C18H18O2 — CID 11414453

IUPACethyl (Z)-3-(3-methylphenyl)-3-phenylprop-2-enoate
SMILESCCOC(=O)/C=C(/c1ccccc1)c1cccc(C)c1
InChIInChI=1S/C18H18O2/c1-3-20-18(19)13-17(15-9-5-4-6-10-15)16-11-7-8-14(2)12-16/h4-13H,3H2,1-2H3/b17-13-
InChIKeyAKXRRKJXAOBKNN-LGMDPLHJSA-N
MW266.34 g/mol
LogP3.99
Rot. Bonds4

About ethyl (Z)-3-(3-methylphenyl)-3-phenylprop-2-enoate

ethyl (Z)-3-(3-methylphenyl)-3-phenylprop-2-enoate (PubChem CID 11414453) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethyl (Z)-3-(3-methylphenyl)-3-phenylprop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-(3-methylphenyl)-3-phenylprop-2-enoate
PubChem CID11414453
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Nameethyl (Z)-3-(3-methylphenyl)-3-phenylprop-2-enoate
SMILESCCOC(=O)/C=C(/c1ccccc1)c1cccc(C)c1
InChIInChI=1S/C18H18O2/c1-3-20-18(19)13-17(15-9-5-4-6-10-15)16-11-7-8-14(2)12-16/h4-13H,3H2,1-2H3/b17-13-
InChIKeyAKXRRKJXAOBKNN-LGMDPLHJSA-N
XLogP3.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (Z)-4-methyl-3-(3-methylphenyl)pent-2-enoate
CID 165351070
ethyl 3-phenyl-3-pyridin-4-ylprop-2-enoate
CID 54507534
ethyl 3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 85223132
ethyl (Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 10967969
ethyl (E)-3-(2-hydroxyphenyl)-3-phenylprop-2-enoate
CID 132574496
ethyl (Z)-3-(4-acetamidophenyl)-3-phenylprop-2-enoate
CID 11120432
ethyl 3,3-bis[4-(2-phenylethynyl)phenyl]prop-2-enoate
CID 19261667
ethyl (Z)-3-(2,5-dimethylfuran-3-yl)-3-phenylprop-2-enoate
CID 102479878
ethyl 3-(3-chloro-2H-indazol-5-yl)-3-phenylprop-2-enoate
CID 67356432
1-methyl-3-(1-phenylprop-1-enyl)benzene
CID 54065155
5-ethoxy-5-oxo-3-phenylpent-3-enoic acid
CID 70049412
ethyl 3-(3-isocyano-1H-indol-6-yl)-3-phenylprop-2-enoate
CID 72573238

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-(3-methylphenyl)-3-phenylprop-2-enoate?
The IUPAC name of ethyl (Z)-3-(3-methylphenyl)-3-phenylprop-2-enoate (CID 11414453) is ethyl (Z)-3-(3-methylphenyl)-3-phenylprop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-(3-methylphenyl)-3-phenylprop-2-enoate?
The canonical SMILES for ethyl (Z)-3-(3-methylphenyl)-3-phenylprop-2-enoate is CCOC(=O)/C=C(/c1ccccc1)c1cccc(C)c1.
What is the InChIKey of ethyl (Z)-3-(3-methylphenyl)-3-phenylprop-2-enoate?
The InChIKey is AKXRRKJXAOBKNN-LGMDPLHJSA-N. The full InChI is InChI=1S/C18H18O2/c1-3-20-18(19)13-17(15-9-5-4-6-10-15)16-11-7-8-14(2)12-16/h4-13H,3H2,1-2H3/b17-13-.
What are the key properties of ethyl (Z)-3-(3-methylphenyl)-3-phenylprop-2-enoate?
ethyl (Z)-3-(3-methylphenyl)-3-phenylprop-2-enoate has a molecular weight of 266.34 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-(3-methylphenyl)-3-phenylprop-2-enoate is sourced from PubChem (CID 11414453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).