(E)-1-(5-benzyl-2-hydroxyphenyl)-3-phenylprop-2-en-1-one

C22H18O2 — CID 70236184

IUPAC(E)-1-(5-benzyl-2-hydroxyphenyl)-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)c1cc(Cc2ccccc2)ccc1O
InChIInChI=1S/C22H18O2/c23-21(13-11-17-7-3-1-4-8-17)20-16-19(12-14-22(20)24)15-18-9-5-2-6-10-18/h1-14,16,24H,15H2/b13-11+
InChIKeyTXXIOQCITPPGLT-ACCUITESSA-N
MW314.38 g/mol
LogP4.88
Rot. Bonds5

About (E)-1-(5-benzyl-2-hydroxyphenyl)-3-phenylprop-2-en-1-one

(E)-1-(5-benzyl-2-hydroxyphenyl)-3-phenylprop-2-en-1-one (PubChem CID 70236184) has the molecular formula C22H18O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is (E)-1-(5-benzyl-2-hydroxyphenyl)-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(5-benzyl-2-hydroxyphenyl)-3-phenylprop-2-en-1-one
PubChem CID70236184
Molecular FormulaC22H18O2
Molecular Weight314.38 g/mol
Exact Mass314.13
IUPAC Name(E)-1-(5-benzyl-2-hydroxyphenyl)-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)c1cc(Cc2ccccc2)ccc1O
InChIInChI=1S/C22H18O2/c23-21(13-11-17-7-3-1-4-8-17)20-16-19(12-14-22(20)24)15-18-9-5-2-6-10-18/h1-14,16,24H,15H2/b13-11+
InChIKeyTXXIOQCITPPGLT-ACCUITESSA-N
XLogP4.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.88
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

3-[4-hydroxy-3-(3-phenylprop-2-enoyl)phenyl]prop-2-enoic acid
CID 54370841
(E)-1-(3-benzyl-2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 23110678
methyl 4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]benzoate
CID 11565405
(E)-1-(5-fluoro-2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one
CID 178046170
1-(4-chloro-2,5-dihydroxyphenyl)-3-phenylprop-2-en-1-one
CID 174535088
1-(5-benzyl-2-hydroxyphenyl)-2,2-dimethylpropan-1-one
CID 63490073
4-hydroxy-3-[3-(3-phenylmethoxyphenyl)prop-2-enoyl]benzoic acid
CID 54348425
N-[4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]phenyl]benzenesulfonamide
CID 6366416
1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 25861
4-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]benzoic acid
CID 5272792
(Z)-1-(5-chloro-2-hydroxyphenyl)-3-(4-chlorophenyl)prop-2-en-1-one
CID 92532750
(E)-1-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one
CID 5270542

Frequently Asked Questions

What is the IUPAC name of (E)-1-(5-benzyl-2-hydroxyphenyl)-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-(5-benzyl-2-hydroxyphenyl)-3-phenylprop-2-en-1-one (CID 70236184) is (E)-1-(5-benzyl-2-hydroxyphenyl)-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(5-benzyl-2-hydroxyphenyl)-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-(5-benzyl-2-hydroxyphenyl)-3-phenylprop-2-en-1-one is O=C(/C=C/c1ccccc1)c1cc(Cc2ccccc2)ccc1O.
What is the InChIKey of (E)-1-(5-benzyl-2-hydroxyphenyl)-3-phenylprop-2-en-1-one?
The InChIKey is TXXIOQCITPPGLT-ACCUITESSA-N. The full InChI is InChI=1S/C22H18O2/c23-21(13-11-17-7-3-1-4-8-17)20-16-19(12-14-22(20)24)15-18-9-5-2-6-10-18/h1-14,16,24H,15H2/b13-11+.
What are the key properties of (E)-1-(5-benzyl-2-hydroxyphenyl)-3-phenylprop-2-en-1-one?
(E)-1-(5-benzyl-2-hydroxyphenyl)-3-phenylprop-2-en-1-one has a molecular weight of 314.38 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(5-benzyl-2-hydroxyphenyl)-3-phenylprop-2-en-1-one is sourced from PubChem (CID 70236184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).