benzyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

C16H14O3 — CID 10083644

IUPACbenzyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
SMILESO=C(/C=C/c1ccc(O)cc1)OCc1ccccc1
InChIInChI=1S/C16H14O3/c17-15-9-6-13(7-10-15)8-11-16(18)19-12-14-4-2-1-3-5-14/h1-11,17H,12H2/b11-8+
InChIKeyRGZZCZQQPNJCPO-DHZHZOJOSA-N
MW254.29 g/mol
LogP3.15
Rot. Bonds4

About benzyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

benzyl (E)-3-(4-hydroxyphenyl)prop-2-enoate (PubChem CID 10083644) has the molecular formula C16H14O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is benzyl (E)-3-(4-hydroxyphenyl)prop-2-enoate.

Molecular Properties

Compound Namebenzyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
PubChem CID10083644
Molecular FormulaC16H14O3
Molecular Weight254.29 g/mol
Exact Mass254.09
IUPAC Namebenzyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
SMILESO=C(/C=C/c1ccc(O)cc1)OCc1ccccc1
InChIInChI=1S/C16H14O3/c17-15-9-6-13(7-10-15)8-11-16(18)19-12-14-4-2-1-3-5-14/h1-11,17H,12H2/b11-8+
InChIKeyRGZZCZQQPNJCPO-DHZHZOJOSA-N
XLogP3.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 benzyl (E)-3-(4-hydroxyphenyl)prop-2-enoate?
The IUPAC name of benzyl (E)-3-(4-hydroxyphenyl)prop-2-enoate (CID 10083644) is benzyl (E)-3-(4-hydroxyphenyl)prop-2-enoate.
What is the SMILES notation for benzyl (E)-3-(4-hydroxyphenyl)prop-2-enoate?
The canonical SMILES for benzyl (E)-3-(4-hydroxyphenyl)prop-2-enoate is O=C(/C=C/c1ccc(O)cc1)OCc1ccccc1.
What is the InChIKey of benzyl (E)-3-(4-hydroxyphenyl)prop-2-enoate?
The InChIKey is RGZZCZQQPNJCPO-DHZHZOJOSA-N. The full InChI is InChI=1S/C16H14O3/c17-15-9-6-13(7-10-15)8-11-16(18)19-12-14-4-2-1-3-5-14/h1-11,17H,12H2/b11-8+.
What are the key properties of benzyl (E)-3-(4-hydroxyphenyl)prop-2-enoate?
benzyl (E)-3-(4-hydroxyphenyl)prop-2-enoate has a molecular weight of 254.29 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (E)-3-(4-hydroxyphenyl)prop-2-enoate is sourced from PubChem (CID 10083644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).