propyl (E)-3-(4-benzylphenyl)prop-2-enoate

C19H20O2 — CID 158296858

IUPACpropyl (E)-3-(4-benzylphenyl)prop-2-enoate
SMILESCCCOC(=O)/C=C/c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C19H20O2/c1-2-14-21-19(20)13-12-16-8-10-18(11-9-16)15-17-6-4-3-5-7-17/h3-13H,2,14-15H2,1H3/b13-12+
InChIKeySJYQIXLZJAQSOK-OUKQBFOZSA-N
MW280.37 g/mol
LogP4.24
Rot. Bonds6

About propyl (E)-3-(4-benzylphenyl)prop-2-enoate

propyl (E)-3-(4-benzylphenyl)prop-2-enoate (PubChem CID 158296858) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is propyl (E)-3-(4-benzylphenyl)prop-2-enoate.

Molecular Properties

Compound Namepropyl (E)-3-(4-benzylphenyl)prop-2-enoate
PubChem CID158296858
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Namepropyl (E)-3-(4-benzylphenyl)prop-2-enoate
SMILESCCCOC(=O)/C=C/c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C19H20O2/c1-2-14-21-19(20)13-12-16-8-10-18(11-9-16)15-17-6-4-3-5-7-17/h3-13H,2,14-15H2,1H3/b13-12+
InChIKeySJYQIXLZJAQSOK-OUKQBFOZSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.24
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 (E)-3-(4-benzylphenyl)prop-2-enoate
CID 67528407
propyl 3-(4-aminophenyl)prop-2-enoate
CID 154395217
propyl 3-(4-iodophenyl)prop-2-enoate
CID 140807754
propyl 3-(4-chlorophenyl)prop-2-enoate
CID 73010685
4-benzylaniline;ethyl (E)-3-[4-(phenylmethyl)phenyl]prop-2-enoate;uranium
CID 161145857
propyl 3-(3-phenylphenyl)prop-2-enoate
CID 135124125
3-phenylpropyl (E)-3-(4-methylphenyl)prop-2-enoate
CID 6234129
2-acetyloxyethyl 3-phenylprop-2-enoate
CID 137478335
octadecyl 3-[4-(3-octadecoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate
CID 54159184
ethyl 3-[4-[(2-phenylmethoxyphenyl)methyl]phenyl]prop-2-enoate
CID 91099844
2-[benzyl(methyl)amino]ethyl 3-phenylprop-2-enoate
CID 2908391
triethyl-[2-(3-phenylprop-2-enoyloxy)ethyl]azanium
CID 123772067

Frequently Asked Questions

What is the IUPAC name of propyl (E)-3-(4-benzylphenyl)prop-2-enoate?
The IUPAC name of propyl (E)-3-(4-benzylphenyl)prop-2-enoate (CID 158296858) is propyl (E)-3-(4-benzylphenyl)prop-2-enoate.
What is the SMILES notation for propyl (E)-3-(4-benzylphenyl)prop-2-enoate?
The canonical SMILES for propyl (E)-3-(4-benzylphenyl)prop-2-enoate is CCCOC(=O)/C=C/c1ccc(Cc2ccccc2)cc1.
What is the InChIKey of propyl (E)-3-(4-benzylphenyl)prop-2-enoate?
The InChIKey is SJYQIXLZJAQSOK-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H20O2/c1-2-14-21-19(20)13-12-16-8-10-18(11-9-16)15-17-6-4-3-5-7-17/h3-13H,2,14-15H2,1H3/b13-12+.
What are the key properties of propyl (E)-3-(4-benzylphenyl)prop-2-enoate?
propyl (E)-3-(4-benzylphenyl)prop-2-enoate has a molecular weight of 280.37 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (E)-3-(4-benzylphenyl)prop-2-enoate is sourced from PubChem (CID 158296858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).