(Z)-2-benzyl-3-hydroxy-1,3-diphenylprop-2-en-1-one

C22H18O2 — CID 139068935

IUPAC(Z)-2-benzyl-3-hydroxy-1,3-diphenylprop-2-en-1-one
SMILESO=C(/C(Cc1ccccc1)=C(\O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18O2/c23-21(18-12-6-2-7-13-18)20(16-17-10-4-1-5-11-17)22(24)19-14-8-3-9-15-19/h1-15,23H,16H2/b21-20-
InChIKeyBDPLNFOCTVUGSC-MRCUWXFGSA-N
MW314.38 g/mol
LogP5.08
Rot. Bonds5

About (Z)-2-benzyl-3-hydroxy-1,3-diphenylprop-2-en-1-one

(Z)-2-benzyl-3-hydroxy-1,3-diphenylprop-2-en-1-one (PubChem CID 139068935) has the molecular formula C22H18O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is (Z)-2-benzyl-3-hydroxy-1,3-diphenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-2-benzyl-3-hydroxy-1,3-diphenylprop-2-en-1-one
PubChem CID139068935
Molecular FormulaC22H18O2
Molecular Weight314.38 g/mol
Exact Mass314.13
IUPAC Name(Z)-2-benzyl-3-hydroxy-1,3-diphenylprop-2-en-1-one
SMILESO=C(/C(Cc1ccccc1)=C(\O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18O2/c23-21(18-12-6-2-7-13-18)20(16-17-10-4-1-5-11-17)22(24)19-14-8-3-9-15-19/h1-15,23H,16H2/b21-20-
InChIKeyBDPLNFOCTVUGSC-MRCUWXFGSA-N
XLogP5.08
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.38
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-benzyl-3-hydroxy-1,3-diphenylprop-2-en-1-one?
The IUPAC name of (Z)-2-benzyl-3-hydroxy-1,3-diphenylprop-2-en-1-one (CID 139068935) is (Z)-2-benzyl-3-hydroxy-1,3-diphenylprop-2-en-1-one.
What is the SMILES notation for (Z)-2-benzyl-3-hydroxy-1,3-diphenylprop-2-en-1-one?
The canonical SMILES for (Z)-2-benzyl-3-hydroxy-1,3-diphenylprop-2-en-1-one is O=C(/C(Cc1ccccc1)=C(\O)c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-2-benzyl-3-hydroxy-1,3-diphenylprop-2-en-1-one?
The InChIKey is BDPLNFOCTVUGSC-MRCUWXFGSA-N. The full InChI is InChI=1S/C22H18O2/c23-21(18-12-6-2-7-13-18)20(16-17-10-4-1-5-11-17)22(24)19-14-8-3-9-15-19/h1-15,23H,16H2/b21-20-.
What are the key properties of (Z)-2-benzyl-3-hydroxy-1,3-diphenylprop-2-en-1-one?
(Z)-2-benzyl-3-hydroxy-1,3-diphenylprop-2-en-1-one has a molecular weight of 314.38 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-benzyl-3-hydroxy-1,3-diphenylprop-2-en-1-one is sourced from PubChem (CID 139068935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).