(E)-1-(3-hydroxyphenyl)-3-phenylprop-2-en-1-one

C15H12O2 — CID 5356382

IUPAC(E)-1-(3-hydroxyphenyl)-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)c1cccc(O)c1
InChIInChI=1S/C15H12O2/c16-14-8-4-7-13(11-14)15(17)10-9-12-5-2-1-3-6-12/h1-11,16H/b10-9+
InChIKeyPACTXFWSVIDIEX-MDZDMXLPSA-N
MW224.26 g/mol
LogP3.29
Rot. Bonds3

About (E)-1-(3-hydroxyphenyl)-3-phenylprop-2-en-1-one

(E)-1-(3-hydroxyphenyl)-3-phenylprop-2-en-1-one (PubChem CID 5356382) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is (E)-1-(3-hydroxyphenyl)-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(3-hydroxyphenyl)-3-phenylprop-2-en-1-one
PubChem CID5356382
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name(E)-1-(3-hydroxyphenyl)-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)c1cccc(O)c1
InChIInChI=1S/C15H12O2/c16-14-8-4-7-13(11-14)15(17)10-9-12-5-2-1-3-6-12/h1-11,16H/b10-9+
InChIKeyPACTXFWSVIDIEX-MDZDMXLPSA-N
XLogP3.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one
CID 639832
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
1-(3-phenoxyphenyl)-3-phenylprop-2-en-1-one
CID 67385176
1,3-bis(4-hydroxyphenyl)prop-2-en-1-one;3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one
CID 67873183
(E)-1-(3-hydroxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one
CID 9033178
1,3-diphenylprop-2-en-1-one;5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
CID 174616800
(E)-3-phenyl-1-(3-propan-2-ylphenyl)prop-2-en-1-one
CID 146007202
(E)-3-[4-[(E)-2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 102135410
3-[3-(3-oxo-3-phenylprop-1-enyl)phenyl]prop-2-enoic acid
CID 75076829
dihydroxy(oxo)phosphanium;(E)-1,3-diphenylprop-2-en-1-one
CID 174799278
(E)-3-phenyl-N-[3-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-enamide
CID 5286756

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3-hydroxyphenyl)-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-(3-hydroxyphenyl)-3-phenylprop-2-en-1-one (CID 5356382) is (E)-1-(3-hydroxyphenyl)-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(3-hydroxyphenyl)-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-(3-hydroxyphenyl)-3-phenylprop-2-en-1-one is O=C(/C=C/c1ccccc1)c1cccc(O)c1.
What is the InChIKey of (E)-1-(3-hydroxyphenyl)-3-phenylprop-2-en-1-one?
The InChIKey is PACTXFWSVIDIEX-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H12O2/c16-14-8-4-7-13(11-14)15(17)10-9-12-5-2-1-3-6-12/h1-11,16H/b10-9+.
What are the key properties of (E)-1-(3-hydroxyphenyl)-3-phenylprop-2-en-1-one?
(E)-1-(3-hydroxyphenyl)-3-phenylprop-2-en-1-one has a molecular weight of 224.26 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-hydroxyphenyl)-3-phenylprop-2-en-1-one is sourced from PubChem (CID 5356382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).