methyl (E)-3-(4-phenylphenyl)prop-2-enoate

C16H14O2 — CID 11459051

IUPACmethyl (E)-3-(4-phenylphenyl)prop-2-enoate
SMILESCOC(=O)/C=C/c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H14O2/c1-18-16(17)12-9-13-7-10-15(11-8-13)14-5-3-2-4-6-14/h2-12H,1H3/b12-9+
InChIKeyUHUGJJAYJFINJA-FMIVXFBMSA-N
MW238.29 g/mol
LogP3.54
Rot. Bonds3

About methyl (E)-3-(4-phenylphenyl)prop-2-enoate

methyl (E)-3-(4-phenylphenyl)prop-2-enoate (PubChem CID 11459051) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is methyl (E)-3-(4-phenylphenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(4-phenylphenyl)prop-2-enoate
PubChem CID11459051
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Namemethyl (E)-3-(4-phenylphenyl)prop-2-enoate
SMILESCOC(=O)/C=C/c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H14O2/c1-18-16(17)12-9-13-7-10-15(11-8-13)14-5-3-2-4-6-14/h2-12H,1H3/b12-9+
InChIKeyUHUGJJAYJFINJA-FMIVXFBMSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.54
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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Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(4-phenylphenyl)prop-2-enoate?
The IUPAC name of methyl (E)-3-(4-phenylphenyl)prop-2-enoate (CID 11459051) is methyl (E)-3-(4-phenylphenyl)prop-2-enoate.
What is the SMILES notation for methyl (E)-3-(4-phenylphenyl)prop-2-enoate?
The canonical SMILES for methyl (E)-3-(4-phenylphenyl)prop-2-enoate is COC(=O)/C=C/c1ccc(-c2ccccc2)cc1.
What is the InChIKey of methyl (E)-3-(4-phenylphenyl)prop-2-enoate?
The InChIKey is UHUGJJAYJFINJA-FMIVXFBMSA-N. The full InChI is InChI=1S/C16H14O2/c1-18-16(17)12-9-13-7-10-15(11-8-13)14-5-3-2-4-6-14/h2-12H,1H3/b12-9+.
What are the key properties of methyl (E)-3-(4-phenylphenyl)prop-2-enoate?
methyl (E)-3-(4-phenylphenyl)prop-2-enoate has a molecular weight of 238.29 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(4-phenylphenyl)prop-2-enoate is sourced from PubChem (CID 11459051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).