(4-hydroxyphenyl) (E)-3-phenylprop-2-enoate

C15H12O3 — CID 639941

IUPAC(4-hydroxyphenyl) (E)-3-phenylprop-2-enoate
SMILESO=C(/C=C/c1ccccc1)Oc1ccc(O)cc1
InChIInChI=1S/C15H12O3/c16-13-7-9-14(10-8-13)18-15(17)11-6-12-4-2-1-3-5-12/h1-11,16H/b11-6+
InChIKeyMGWRBPOJCVBRQX-IZZDOVSWSA-N
MW240.26 g/mol
LogP3.01
Rot. Bonds3

About (4-hydroxyphenyl) (E)-3-phenylprop-2-enoate

(4-hydroxyphenyl) (E)-3-phenylprop-2-enoate (PubChem CID 639941) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is (4-hydroxyphenyl) (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name(4-hydroxyphenyl) (E)-3-phenylprop-2-enoate
PubChem CID639941
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name(4-hydroxyphenyl) (E)-3-phenylprop-2-enoate
SMILESO=C(/C=C/c1ccccc1)Oc1ccc(O)cc1
InChIInChI=1S/C15H12O3/c16-13-7-9-14(10-8-13)18-15(17)11-6-12-4-2-1-3-5-12/h1-11,16H/b11-6+
InChIKeyMGWRBPOJCVBRQX-IZZDOVSWSA-N
XLogP3.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phenyl (E)-3-[4-(4-hydroxybenzoyl)phenyl]prop-2-enoate
CID 118353282
ethane;phenyl 3-phenylprop-2-enoate
CID 90878305
phenyl 3-[4-(3-oxo-3-phenoxyprop-1-enyl)phenyl]prop-2-enoate
CID 86184537
4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxybenzoic acid
CID 67700859
(4-aminophenyl) (E)-3-phenylprop-2-enoate
CID 87778224
(4-bromophenyl) 3-phenylprop-2-enoate
CID 759220
[3,5-bis[[(E)-3-phenylprop-2-enoyl]oxy]phenyl] (E)-3-phenylprop-2-enoate
CID 59860900
(4-fluorophenyl) (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 175109384
(4-hydroxyphenyl) (E)-3-(4-chlorophenyl)prop-2-enoate
CID 118274615
[4-[(E)-3-oxobut-1-enyl]phenyl] (Z)-3-phenylprop-2-enoate
CID 92529146
[4-(bromomethyl)phenyl] 3-phenylprop-2-enoate
CID 67745574
ethane;(4-ethenylphenyl) (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 144902381

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl) (E)-3-phenylprop-2-enoate?
The IUPAC name of (4-hydroxyphenyl) (E)-3-phenylprop-2-enoate (CID 639941) is (4-hydroxyphenyl) (E)-3-phenylprop-2-enoate.
What is the SMILES notation for (4-hydroxyphenyl) (E)-3-phenylprop-2-enoate?
The canonical SMILES for (4-hydroxyphenyl) (E)-3-phenylprop-2-enoate is O=C(/C=C/c1ccccc1)Oc1ccc(O)cc1.
What is the InChIKey of (4-hydroxyphenyl) (E)-3-phenylprop-2-enoate?
The InChIKey is MGWRBPOJCVBRQX-IZZDOVSWSA-N. The full InChI is InChI=1S/C15H12O3/c16-13-7-9-14(10-8-13)18-15(17)11-6-12-4-2-1-3-5-12/h1-11,16H/b11-6+.
What are the key properties of (4-hydroxyphenyl) (E)-3-phenylprop-2-enoate?
(4-hydroxyphenyl) (E)-3-phenylprop-2-enoate has a molecular weight of 240.26 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl) (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 639941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).