1-[2-hydroxy-6-phenyl-3-[(E)-3-phenylprop-2-enyl]phenyl]ethanone

C23H20O2 — CID 138973706

IUPAC1-[2-hydroxy-6-phenyl-3-[(E)-3-phenylprop-2-enyl]phenyl]ethanone
SMILESCC(=O)c1c(-c2ccccc2)ccc(C/C=C/c2ccccc2)c1O
InChIInChI=1S/C23H20O2/c1-17(24)22-21(19-12-6-3-7-13-19)16-15-20(23(22)25)14-8-11-18-9-4-2-5-10-18/h2-13,15-16,25H,14H2,1H3/b11-8+
InChIKeyDTMLWYONNCBZJE-DHZHZOJOSA-N
MW328.41 g/mol
LogP5.52
Rot. Bonds5

About 1-[2-hydroxy-6-phenyl-3-[(E)-3-phenylprop-2-enyl]phenyl]ethanone

1-[2-hydroxy-6-phenyl-3-[(E)-3-phenylprop-2-enyl]phenyl]ethanone (PubChem CID 138973706) has the molecular formula C23H20O2 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-[2-hydroxy-6-phenyl-3-[(E)-3-phenylprop-2-enyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-hydroxy-6-phenyl-3-[(E)-3-phenylprop-2-enyl]phenyl]ethanone
PubChem CID138973706
Molecular FormulaC23H20O2
Molecular Weight328.41 g/mol
Exact Mass328.15
IUPAC Name1-[2-hydroxy-6-phenyl-3-[(E)-3-phenylprop-2-enyl]phenyl]ethanone
SMILESCC(=O)c1c(-c2ccccc2)ccc(C/C=C/c2ccccc2)c1O
InChIInChI=1S/C23H20O2/c1-17(24)22-21(19-12-6-3-7-13-19)16-15-20(23(22)25)14-8-11-18-9-4-2-5-10-18/h2-13,15-16,25H,14H2,1H3/b11-8+
InChIKeyDTMLWYONNCBZJE-DHZHZOJOSA-N
XLogP5.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.41
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorophenyl)-2-hydroxy-6-phenyl-3-[(E)-3-phenylprop-2-enyl]benzamide
CID 138972633
1-[4-[4-amino-2-(3-phenylprop-2-enyl)phenyl]phenyl]ethanone
CID 69412326
1-(2,3-dihydroxy-6-phenylphenyl)ethanone
CID 173305847
2-methyl-4-[(E)-3-phenylprop-2-enyl]benzene-1,3-diol
CID 14224897
3-(3-phenylprop-2-enyl)benzene-1,2-diol
CID 54349288
2-methyl-6-[(E)-3-phenylprop-2-enyl]phenol
CID 15739153
zinc bis(4-phenylbut-3-enoate)
CID 66673127
3-azulen-1-ylprop-1-en-1-ol
CID 67644602
but-1-enylbenzene;3-phenylbenzene-1,2-diol
CID 174676185
2,6-diethyl-3-phenylphenol
CID 101302345
1-[4-[(E)-3-phenylprop-1-enyl]phenyl]ethanone
CID 10633570
(E)-1-(4-acetylphenyl)-4-phenylbut-3-en-1-one
CID 46928519

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-6-phenyl-3-[(E)-3-phenylprop-2-enyl]phenyl]ethanone?
The IUPAC name of 1-[2-hydroxy-6-phenyl-3-[(E)-3-phenylprop-2-enyl]phenyl]ethanone (CID 138973706) is 1-[2-hydroxy-6-phenyl-3-[(E)-3-phenylprop-2-enyl]phenyl]ethanone.
What is the SMILES notation for 1-[2-hydroxy-6-phenyl-3-[(E)-3-phenylprop-2-enyl]phenyl]ethanone?
The canonical SMILES for 1-[2-hydroxy-6-phenyl-3-[(E)-3-phenylprop-2-enyl]phenyl]ethanone is CC(=O)c1c(-c2ccccc2)ccc(C/C=C/c2ccccc2)c1O.
What is the InChIKey of 1-[2-hydroxy-6-phenyl-3-[(E)-3-phenylprop-2-enyl]phenyl]ethanone?
The InChIKey is DTMLWYONNCBZJE-DHZHZOJOSA-N. The full InChI is InChI=1S/C23H20O2/c1-17(24)22-21(19-12-6-3-7-13-19)16-15-20(23(22)25)14-8-11-18-9-4-2-5-10-18/h2-13,15-16,25H,14H2,1H3/b11-8+.
What are the key properties of 1-[2-hydroxy-6-phenyl-3-[(E)-3-phenylprop-2-enyl]phenyl]ethanone?
1-[2-hydroxy-6-phenyl-3-[(E)-3-phenylprop-2-enyl]phenyl]ethanone has a molecular weight of 328.41 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-6-phenyl-3-[(E)-3-phenylprop-2-enyl]phenyl]ethanone is sourced from PubChem (CID 138973706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).