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

C15H11ClO3 — CID 118274615

IUPAC(4-hydroxyphenyl) (E)-3-(4-chlorophenyl)prop-2-enoate
SMILESO=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(O)cc1
InChIInChI=1S/C15H11ClO3/c16-12-4-1-11(2-5-12)3-10-15(18)19-14-8-6-13(17)7-9-14/h1-10,17H/b10-3+
InChIKeyOIBOLLZUMBBCEJ-XCVCLJGOSA-N
MW274.70 g/mol
LogP3.66
Rot. Bonds3

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

(4-hydroxyphenyl) (E)-3-(4-chlorophenyl)prop-2-enoate (PubChem CID 118274615) has the molecular formula C15H11ClO3 and a molecular weight of 274.70 g/mol. Its IUPAC name is (4-hydroxyphenyl) (E)-3-(4-chlorophenyl)prop-2-enoate.

Molecular Properties

Compound Name(4-hydroxyphenyl) (E)-3-(4-chlorophenyl)prop-2-enoate
PubChem CID118274615
Molecular FormulaC15H11ClO3
Molecular Weight274.70 g/mol
Exact Mass274.04
IUPAC Name(4-hydroxyphenyl) (E)-3-(4-chlorophenyl)prop-2-enoate
SMILESO=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(O)cc1
InChIInChI=1S/C15H11ClO3/c16-12-4-1-11(2-5-12)3-10-15(18)19-14-8-6-13(17)7-9-14/h1-10,17H/b10-3+
InChIKeyOIBOLLZUMBBCEJ-XCVCLJGOSA-N
XLogP3.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.70
LogP ≤ 53.66
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

(4-fluorophenyl) (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 175109384
(4-hydroxyphenyl) (E)-3-phenylprop-2-enoate
CID 639941
4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxybenzoic acid
CID 67700859
ethane;(4-ethenylphenyl) (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 144902381
(4-chlorophenyl)methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 14204374
phenyl (E)-3-[4-(4-hydroxybenzoyl)phenyl]prop-2-enoate
CID 118353282
[4-(2,5-dioxopyrrol-1-yl)phenyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 146213784
4-[(E)-2-(4-chlorophenyl)ethenyl]phenol
CID 5376643
(4-methoxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 774853
phenyl 3-[4-(3-oxo-3-phenoxyprop-1-enyl)phenyl]prop-2-enoate
CID 86184537
(3-formylphenyl) (E)-3-(4-chlorophenyl)prop-2-enoate
CID 39199925
ethane;[4-[3-(4-methylphenyl)prop-2-enoyloxy]phenyl] 3-(4-methylphenyl)prop-2-enoate
CID 123696763

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl) (E)-3-(4-chlorophenyl)prop-2-enoate?
The IUPAC name of (4-hydroxyphenyl) (E)-3-(4-chlorophenyl)prop-2-enoate (CID 118274615) is (4-hydroxyphenyl) (E)-3-(4-chlorophenyl)prop-2-enoate.
What is the SMILES notation for (4-hydroxyphenyl) (E)-3-(4-chlorophenyl)prop-2-enoate?
The canonical SMILES for (4-hydroxyphenyl) (E)-3-(4-chlorophenyl)prop-2-enoate is O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(O)cc1.
What is the InChIKey of (4-hydroxyphenyl) (E)-3-(4-chlorophenyl)prop-2-enoate?
The InChIKey is OIBOLLZUMBBCEJ-XCVCLJGOSA-N. The full InChI is InChI=1S/C15H11ClO3/c16-12-4-1-11(2-5-12)3-10-15(18)19-14-8-6-13(17)7-9-14/h1-10,17H/b10-3+.
What are the key properties of (4-hydroxyphenyl) (E)-3-(4-chlorophenyl)prop-2-enoate?
(4-hydroxyphenyl) (E)-3-(4-chlorophenyl)prop-2-enoate has a molecular weight of 274.70 g/mol, XLogP of 3.66, 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-(4-chlorophenyl)prop-2-enoate is sourced from PubChem (CID 118274615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).