(E,4R)-4-hydroxy-5-(4-hydroxyphenyl)-1-phenylpent-1-en-3-one

C17H16O3 — CID 163942767

IUPAC(E,4R)-4-hydroxy-5-(4-hydroxyphenyl)-1-phenylpent-1-en-3-one
SMILESO=C(/C=C/c1ccccc1)[C@H](O)Cc1ccc(O)cc1
InChIInChI=1S/C17H16O3/c18-15-9-6-14(7-10-15)12-17(20)16(19)11-8-13-4-2-1-3-5-13/h1-11,17-18,20H,12H2/b11-8+/t17-/m1/s1
InChIKeyRSLJCTWMGAQFHG-VGMNTSGFSA-N
MW268.31 g/mol
LogP2.58
Rot. Bonds5

About (E,4R)-4-hydroxy-5-(4-hydroxyphenyl)-1-phenylpent-1-en-3-one

(E,4R)-4-hydroxy-5-(4-hydroxyphenyl)-1-phenylpent-1-en-3-one (PubChem CID 163942767) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is (E,4R)-4-hydroxy-5-(4-hydroxyphenyl)-1-phenylpent-1-en-3-one.

Molecular Properties

Compound Name(E,4R)-4-hydroxy-5-(4-hydroxyphenyl)-1-phenylpent-1-en-3-one
PubChem CID163942767
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name(E,4R)-4-hydroxy-5-(4-hydroxyphenyl)-1-phenylpent-1-en-3-one
SMILESO=C(/C=C/c1ccccc1)[C@H](O)Cc1ccc(O)cc1
InChIInChI=1S/C17H16O3/c18-15-9-6-14(7-10-15)12-17(20)16(19)11-8-13-4-2-1-3-5-13/h1-11,17-18,20H,12H2/b11-8+/t17-/m1/s1
InChIKeyRSLJCTWMGAQFHG-VGMNTSGFSA-N
XLogP2.58
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E,4S)-4-hydroxy-1-phenyloct-1-en-3-one
CID 100976642
5-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-1-phenylpent-1-en-3-one
CID 175806299
benzyl (2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoate
CID 86346378
2-hydroxy-3-[4-(3-phenylprop-2-enyl)phenyl]propanamide
CID 70086385
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
(2S)-2-amino-3-phenylpropanoic acid;2-hydroxy-3-(4-hydroxyphenyl)propanoic acid
CID 121320325
(E)-2-nitro-3-oxo-5-phenylpent-4-enoic acid
CID 88621285
azane;1,5-diphenylpenta-1,4-dien-3-one
CID 172776077
(1Z,4Z)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium
CID 154825040
1,5-diphenylpenta-1,4-dien-3-one;hydrochloride
CID 70139846
carbanide;bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium(2+)
CID 161273372
tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)
CID 140752753

Frequently Asked Questions

What is the IUPAC name of (E,4R)-4-hydroxy-5-(4-hydroxyphenyl)-1-phenylpent-1-en-3-one?
The IUPAC name of (E,4R)-4-hydroxy-5-(4-hydroxyphenyl)-1-phenylpent-1-en-3-one (CID 163942767) is (E,4R)-4-hydroxy-5-(4-hydroxyphenyl)-1-phenylpent-1-en-3-one.
What is the SMILES notation for (E,4R)-4-hydroxy-5-(4-hydroxyphenyl)-1-phenylpent-1-en-3-one?
The canonical SMILES for (E,4R)-4-hydroxy-5-(4-hydroxyphenyl)-1-phenylpent-1-en-3-one is O=C(/C=C/c1ccccc1)[C@H](O)Cc1ccc(O)cc1.
What is the InChIKey of (E,4R)-4-hydroxy-5-(4-hydroxyphenyl)-1-phenylpent-1-en-3-one?
The InChIKey is RSLJCTWMGAQFHG-VGMNTSGFSA-N. The full InChI is InChI=1S/C17H16O3/c18-15-9-6-14(7-10-15)12-17(20)16(19)11-8-13-4-2-1-3-5-13/h1-11,17-18,20H,12H2/b11-8+/t17-/m1/s1.
What are the key properties of (E,4R)-4-hydroxy-5-(4-hydroxyphenyl)-1-phenylpent-1-en-3-one?
(E,4R)-4-hydroxy-5-(4-hydroxyphenyl)-1-phenylpent-1-en-3-one has a molecular weight of 268.31 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R)-4-hydroxy-5-(4-hydroxyphenyl)-1-phenylpent-1-en-3-one is sourced from PubChem (CID 163942767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).