(E,5R)-5-hydroxy-1,7-diphenylhept-1-en-3-one

C19H20O2 — CID 38359503

IUPAC(E,5R)-5-hydroxy-1,7-diphenylhept-1-en-3-one
SMILESO=C(/C=C/c1ccccc1)C[C@H](O)CCc1ccccc1
InChIInChI=1S/C19H20O2/c20-18(13-11-16-7-3-1-4-8-16)15-19(21)14-12-17-9-5-2-6-10-17/h1-11,13,19,21H,12,14-15H2/b13-11+/t19-/m1/s1
InChIKeyOUAINJWTDRNZIJ-XSSIKURBSA-N
MW280.37 g/mol
LogP3.65
Rot. Bonds7

About (E,5R)-5-hydroxy-1,7-diphenylhept-1-en-3-one

(E,5R)-5-hydroxy-1,7-diphenylhept-1-en-3-one (PubChem CID 38359503) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (E,5R)-5-hydroxy-1,7-diphenylhept-1-en-3-one.

Molecular Properties

Compound Name(E,5R)-5-hydroxy-1,7-diphenylhept-1-en-3-one
PubChem CID38359503
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name(E,5R)-5-hydroxy-1,7-diphenylhept-1-en-3-one
SMILESO=C(/C=C/c1ccccc1)C[C@H](O)CCc1ccccc1
InChIInChI=1S/C19H20O2/c20-18(13-11-16-7-3-1-4-8-16)15-19(21)14-12-17-9-5-2-6-10-17/h1-11,13,19,21H,12,14-15H2/b13-11+/t19-/m1/s1
InChIKeyOUAINJWTDRNZIJ-XSSIKURBSA-N
XLogP3.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.65
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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Frequently Asked Questions

What is the IUPAC name of (E,5R)-5-hydroxy-1,7-diphenylhept-1-en-3-one?
The IUPAC name of (E,5R)-5-hydroxy-1,7-diphenylhept-1-en-3-one (CID 38359503) is (E,5R)-5-hydroxy-1,7-diphenylhept-1-en-3-one.
What is the SMILES notation for (E,5R)-5-hydroxy-1,7-diphenylhept-1-en-3-one?
The canonical SMILES for (E,5R)-5-hydroxy-1,7-diphenylhept-1-en-3-one is O=C(/C=C/c1ccccc1)C[C@H](O)CCc1ccccc1.
What is the InChIKey of (E,5R)-5-hydroxy-1,7-diphenylhept-1-en-3-one?
The InChIKey is OUAINJWTDRNZIJ-XSSIKURBSA-N. The full InChI is InChI=1S/C19H20O2/c20-18(13-11-16-7-3-1-4-8-16)15-19(21)14-12-17-9-5-2-6-10-17/h1-11,13,19,21H,12,14-15H2/b13-11+/t19-/m1/s1.
What are the key properties of (E,5R)-5-hydroxy-1,7-diphenylhept-1-en-3-one?
(E,5R)-5-hydroxy-1,7-diphenylhept-1-en-3-one has a molecular weight of 280.37 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5R)-5-hydroxy-1,7-diphenylhept-1-en-3-one is sourced from PubChem (CID 38359503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).