methyl (E)-3-(4-methoxyphenyl)-2-methyl-3-phenylprop-2-enoate

C18H18O3 — CID 101149814

IUPACmethyl (E)-3-(4-methoxyphenyl)-2-methyl-3-phenylprop-2-enoate
SMILESCOC(=O)/C(C)=C(\c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C18H18O3/c1-13(18(19)21-3)17(14-7-5-4-6-8-14)15-9-11-16(20-2)12-10-15/h4-12H,1-3H3/b17-13+
InChIKeyIUEXXRSNURJJMO-GHRIWEEISA-N
MW282.34 g/mol
LogP3.69
Rot. Bonds4

About methyl (E)-3-(4-methoxyphenyl)-2-methyl-3-phenylprop-2-enoate

methyl (E)-3-(4-methoxyphenyl)-2-methyl-3-phenylprop-2-enoate (PubChem CID 101149814) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is methyl (E)-3-(4-methoxyphenyl)-2-methyl-3-phenylprop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(4-methoxyphenyl)-2-methyl-3-phenylprop-2-enoate
PubChem CID101149814
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Namemethyl (E)-3-(4-methoxyphenyl)-2-methyl-3-phenylprop-2-enoate
SMILESCOC(=O)/C(C)=C(\c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C18H18O3/c1-13(18(19)21-3)17(14-7-5-4-6-8-14)15-9-11-16(20-2)12-10-15/h4-12H,1-3H3/b17-13+
InChIKeyIUEXXRSNURJJMO-GHRIWEEISA-N
XLogP3.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229
acetic acid;4-[1-(4-methoxyphenyl)-2,2-diphenylethenyl]phenol
CID 71403634
ethyl 3,3-bis(4-methoxyphenyl)-2-methylprop-2-enoate
CID 19421674
methyl 2-benzamido-3-(4-methoxyphenyl)but-2-enoate
CID 85197685
methyl (Z)-3-(4-methoxyphenyl)-2-methylpent-2-enoate
CID 11053577
anisole;methyl 4-methoxybenzoate
CID 158093995
1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione
CID 102495157
1-O,2-O-dimethyl 1-O-phenyl (Z)-2-(4-methoxyphenyl)ethene-1,1,2-tricarboxylate
CID 177419239
1-bromo-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene
CID 132514241
4-[(E)-2-(4-formylphenyl)-2-(4-methoxyphenyl)-1-phenylethenyl]benzaldehyde
CID 102406735
methyl 2-(4-methoxyphenyl)imino-2-phenylacetate
CID 11659050
1-(4-methoxyphenyl)-2-methylidene-3-phenylpropane-1,3-dione
CID 15785953

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(4-methoxyphenyl)-2-methyl-3-phenylprop-2-enoate?
The IUPAC name of methyl (E)-3-(4-methoxyphenyl)-2-methyl-3-phenylprop-2-enoate (CID 101149814) is methyl (E)-3-(4-methoxyphenyl)-2-methyl-3-phenylprop-2-enoate.
What is the SMILES notation for methyl (E)-3-(4-methoxyphenyl)-2-methyl-3-phenylprop-2-enoate?
The canonical SMILES for methyl (E)-3-(4-methoxyphenyl)-2-methyl-3-phenylprop-2-enoate is COC(=O)/C(C)=C(\c1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of methyl (E)-3-(4-methoxyphenyl)-2-methyl-3-phenylprop-2-enoate?
The InChIKey is IUEXXRSNURJJMO-GHRIWEEISA-N. The full InChI is InChI=1S/C18H18O3/c1-13(18(19)21-3)17(14-7-5-4-6-8-14)15-9-11-16(20-2)12-10-15/h4-12H,1-3H3/b17-13+.
What are the key properties of methyl (E)-3-(4-methoxyphenyl)-2-methyl-3-phenylprop-2-enoate?
methyl (E)-3-(4-methoxyphenyl)-2-methyl-3-phenylprop-2-enoate has a molecular weight of 282.34 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(4-methoxyphenyl)-2-methyl-3-phenylprop-2-enoate is sourced from PubChem (CID 101149814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).