(3R,5S)-3,5-dihydroxy-1,7-diphenylheptane-1,7-dione

C19H20O4 — CID 57327357

IUPAC(3R,5S)-3,5-dihydroxy-1,7-diphenylheptane-1,7-dione
SMILESO=C(C[C@@H](O)C[C@@H](O)CC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20O4/c20-16(12-18(22)14-7-3-1-4-8-14)11-17(21)13-19(23)15-9-5-2-6-10-15/h1-10,16-17,20-21H,11-13H2/t16-,17+
InChIKeyNYLHTVSYTZMURW-CALCHBBNSA-N
MW312.37 g/mol
LogP2.64
Rot. Bonds8

About (3R,5S)-3,5-dihydroxy-1,7-diphenylheptane-1,7-dione

(3R,5S)-3,5-dihydroxy-1,7-diphenylheptane-1,7-dione (PubChem CID 57327357) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is (3R,5S)-3,5-dihydroxy-1,7-diphenylheptane-1,7-dione.

Molecular Properties

Compound Name(3R,5S)-3,5-dihydroxy-1,7-diphenylheptane-1,7-dione
PubChem CID57327357
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name(3R,5S)-3,5-dihydroxy-1,7-diphenylheptane-1,7-dione
SMILESO=C(C[C@@H](O)C[C@@H](O)CC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20O4/c20-16(12-18(22)14-7-3-1-4-8-14)11-17(21)13-19(23)15-9-5-2-6-10-15/h1-10,16-17,20-21H,11-13H2/t16-,17+
InChIKeyNYLHTVSYTZMURW-CALCHBBNSA-N
XLogP2.64
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-3-hydroxy-1-phenylbutan-1-one
CID 13032297
3-phenacyl-1,5-diphenylpentane-1,5-dione
CID 10547136
(3R)-3-hydroxy-1-phenylbutan-1-one
CID 5324981
methyl (3S)-3-hydroxy-5-oxo-5-phenylpentanoate
CID 45113502
3-hydroxy-1-phenyloctan-1-one
CID 11127809
5-hydroxy-1,3,5-triphenylpentan-1-one
CID 11727250
3,4-dimethyl-1-phenylpentan-1-one
CID 24976524
methyl 2-hydrazinyl-4-oxo-4-phenylbutanoate
CID 174431465
4-chloro-3-hydroxy-1-phenylpentan-1-one
CID 15327489
(3S)-3-hydroxy-1-phenyl-3-(4-phenylphenyl)propan-1-one
CID 102595151
(3R)-4,4,5,5,5-pentafluoro-3-hydroxy-1-phenylpentan-1-one
CID 53255086
(3R)-3-ethoxy-3-hydroxy-1-phenylpropan-1-one
CID 68510519

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3,5-dihydroxy-1,7-diphenylheptane-1,7-dione?
The IUPAC name of (3R,5S)-3,5-dihydroxy-1,7-diphenylheptane-1,7-dione (CID 57327357) is (3R,5S)-3,5-dihydroxy-1,7-diphenylheptane-1,7-dione.
What is the SMILES notation for (3R,5S)-3,5-dihydroxy-1,7-diphenylheptane-1,7-dione?
The canonical SMILES for (3R,5S)-3,5-dihydroxy-1,7-diphenylheptane-1,7-dione is O=C(C[C@@H](O)C[C@@H](O)CC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (3R,5S)-3,5-dihydroxy-1,7-diphenylheptane-1,7-dione?
The InChIKey is NYLHTVSYTZMURW-CALCHBBNSA-N. The full InChI is InChI=1S/C19H20O4/c20-16(12-18(22)14-7-3-1-4-8-14)11-17(21)13-19(23)15-9-5-2-6-10-15/h1-10,16-17,20-21H,11-13H2/t16-,17+.
What are the key properties of (3R,5S)-3,5-dihydroxy-1,7-diphenylheptane-1,7-dione?
(3R,5S)-3,5-dihydroxy-1,7-diphenylheptane-1,7-dione has a molecular weight of 312.37 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3,5-dihydroxy-1,7-diphenylheptane-1,7-dione is sourced from PubChem (CID 57327357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).