2,3-dihydroxy-1,5-diphenylpentan-1-one

C17H18O3 — CID 12776717

IUPAC2,3-dihydroxy-1,5-diphenylpentan-1-one
SMILESO=C(c1ccccc1)C(O)C(O)CCc1ccccc1
InChIInChI=1S/C17H18O3/c18-15(12-11-13-7-3-1-4-8-13)17(20)16(19)14-9-5-2-6-10-14/h1-10,15,17-18,20H,11-12H2
InChIKeyUVNNIFZAVMGXGO-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.22
Rot. Bonds6

About 2,3-dihydroxy-1,5-diphenylpentan-1-one

2,3-dihydroxy-1,5-diphenylpentan-1-one (PubChem CID 12776717) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2,3-dihydroxy-1,5-diphenylpentan-1-one.

Molecular Properties

Compound Name2,3-dihydroxy-1,5-diphenylpentan-1-one
PubChem CID12776717
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2,3-dihydroxy-1,5-diphenylpentan-1-one
SMILESO=C(c1ccccc1)C(O)C(O)CCc1ccccc1
InChIInChI=1S/C17H18O3/c18-15(12-11-13-7-3-1-4-8-13)17(20)16(19)14-9-5-2-6-10-14/h1-10,15,17-18,20H,11-12H2
InChIKeyUVNNIFZAVMGXGO-UHFFFAOYSA-N
XLogP2.22
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-3-hydroxy-2-[(1R)-1-hydroxy-3-phenylpropyl]-1-phenylhexan-1-one
CID 11221099
(2S,3R)-3-hydroxy-2-[(1R)-1-hydroxy-3-phenylpropyl]-4-methyl-1-phenylpentan-1-one
CID 101224854
2-methyl-1,4-diphenylbutan-1-one
CID 11413736
(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride
CID 67941860
3-hydroxy-1-phenyl-2-(2-phenylethyl)butan-1-one
CID 101155238
2-amino-1,4-diphenylbutan-1-one;hydrochloride
CID 66915929
(2R,3R)-2,3-dihydroxy-1-(3-methoxyphenyl)-6-phenylhexan-1-one
CID 11781998
(2S,3R)-2,3-dihydroxy-1-phenyloct-7-en-1-one
CID 59086537
2,3,4-trihydroxy-1-phenylhexan-1-one
CID 176900279
3-amino-2-hydroxy-5-phenylpentanoic acid
CID 22182665
(3S)-4-methyl-1-phenylhex-5-en-3-ol
CID 177392866
(4S)-4-methyl-1-phenylhex-5-en-3-ol
CID 12938739

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-1,5-diphenylpentan-1-one?
The IUPAC name of 2,3-dihydroxy-1,5-diphenylpentan-1-one (CID 12776717) is 2,3-dihydroxy-1,5-diphenylpentan-1-one.
What is the SMILES notation for 2,3-dihydroxy-1,5-diphenylpentan-1-one?
The canonical SMILES for 2,3-dihydroxy-1,5-diphenylpentan-1-one is O=C(c1ccccc1)C(O)C(O)CCc1ccccc1.
What is the InChIKey of 2,3-dihydroxy-1,5-diphenylpentan-1-one?
The InChIKey is UVNNIFZAVMGXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c18-15(12-11-13-7-3-1-4-8-13)17(20)16(19)14-9-5-2-6-10-14/h1-10,15,17-18,20H,11-12H2.
What are the key properties of 2,3-dihydroxy-1,5-diphenylpentan-1-one?
2,3-dihydroxy-1,5-diphenylpentan-1-one has a molecular weight of 270.33 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-1,5-diphenylpentan-1-one is sourced from PubChem (CID 12776717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).