(5-hydroxy-3-oxo-5-phenylpentan-2-yl) acetate

C13H16O4 — CID 101451828

IUPAC(5-hydroxy-3-oxo-5-phenylpentan-2-yl) acetate
SMILESCC(=O)OC(C)C(=O)CC(O)c1ccccc1
InChIInChI=1S/C13H16O4/c1-9(17-10(2)14)12(15)8-13(16)11-6-4-3-5-7-11/h3-7,9,13,16H,8H2,1-2H3
InChIKeyFEOGYRIVNUBOBY-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.63
Rot. Bonds5

About (5-hydroxy-3-oxo-5-phenylpentan-2-yl) acetate

(5-hydroxy-3-oxo-5-phenylpentan-2-yl) acetate (PubChem CID 101451828) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is (5-hydroxy-3-oxo-5-phenylpentan-2-yl) acetate.

Molecular Properties

Compound Name(5-hydroxy-3-oxo-5-phenylpentan-2-yl) acetate
PubChem CID101451828
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name(5-hydroxy-3-oxo-5-phenylpentan-2-yl) acetate
SMILESCC(=O)OC(C)C(=O)CC(O)c1ccccc1
InChIInChI=1S/C13H16O4/c1-9(17-10(2)14)12(15)8-13(16)11-6-4-3-5-7-11/h3-7,9,13,16H,8H2,1-2H3
InChIKeyFEOGYRIVNUBOBY-UHFFFAOYSA-N
XLogP1.63
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-hydroxy-4-phenylbutan-2-one
CID 10888260
(1R,4R)-1-hydroxy-4-methyl-1-phenylhexan-3-one
CID 131864107
4-hydroxy-1,1-dimethoxy-4-phenylbutan-2-one
CID 101201301
(1R,4S)-1,5-dihydroxy-4-methyl-1-phenylpentan-3-one
CID 139089580
1-hydroxy-4-[hydroxy(phenyl)methyl]-5-methyl-1-phenylhexan-3-one
CID 10519196
[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate
CID 76968517
ethyl (3S)-3-hydroxy-3-phenylpropanoate
CID 853697
methyl (Z)-5-hydroxy-3-methyl-5-phenylpent-2-enoate
CID 101073469
methyl (2R,3R)-2-deuterio-3-hydroxy-3-phenylpropanoate
CID 25241509
3-methyl-1,5-diphenylhexa-3,4-dien-1-ol
CID 102434013
(1,4-dioxo-5-phenylhexan-2-yl) acetate
CID 139212766
[1-oxo-1-[1-oxo-1-[1-oxo-1-(1-oxo-1-phenylmethoxypropan-2-yl)oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] 2-acetyloxypropanoate
CID 126688958

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-3-oxo-5-phenylpentan-2-yl) acetate?
The IUPAC name of (5-hydroxy-3-oxo-5-phenylpentan-2-yl) acetate (CID 101451828) is (5-hydroxy-3-oxo-5-phenylpentan-2-yl) acetate.
What is the SMILES notation for (5-hydroxy-3-oxo-5-phenylpentan-2-yl) acetate?
The canonical SMILES for (5-hydroxy-3-oxo-5-phenylpentan-2-yl) acetate is CC(=O)OC(C)C(=O)CC(O)c1ccccc1.
What is the InChIKey of (5-hydroxy-3-oxo-5-phenylpentan-2-yl) acetate?
The InChIKey is FEOGYRIVNUBOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-9(17-10(2)14)12(15)8-13(16)11-6-4-3-5-7-11/h3-7,9,13,16H,8H2,1-2H3.
What are the key properties of (5-hydroxy-3-oxo-5-phenylpentan-2-yl) acetate?
(5-hydroxy-3-oxo-5-phenylpentan-2-yl) acetate has a molecular weight of 236.27 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-3-oxo-5-phenylpentan-2-yl) acetate is sourced from PubChem (CID 101451828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).