[(2R)-1-hydroxy-3-methyl-5-phenylpenta-3,4-dien-2-yl] acetate

C14H16O3 — CID 101414734

IUPAC[(2R)-1-hydroxy-3-methyl-5-phenylpenta-3,4-dien-2-yl] acetate
SMILESCC(=O)O[C@@H](CO)C(C)=C=Cc1ccccc1
InChIInChI=1S/C14H16O3/c1-11(14(10-15)17-12(2)16)8-9-13-6-4-3-5-7-13/h3-7,9,14-15H,10H2,1-2H3/t8?,14-/m0/s1
InChIKeyCRCRJMLZWOQMPB-OMXDBJJSSA-N
MW232.28 g/mol
LogP2.17
Rot. Bonds4

About [(2R)-1-hydroxy-3-methyl-5-phenylpenta-3,4-dien-2-yl] acetate

[(2R)-1-hydroxy-3-methyl-5-phenylpenta-3,4-dien-2-yl] acetate (PubChem CID 101414734) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is [(2R)-1-hydroxy-3-methyl-5-phenylpenta-3,4-dien-2-yl] acetate.

Molecular Properties

Compound Name[(2R)-1-hydroxy-3-methyl-5-phenylpenta-3,4-dien-2-yl] acetate
PubChem CID101414734
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name[(2R)-1-hydroxy-3-methyl-5-phenylpenta-3,4-dien-2-yl] acetate
SMILESCC(=O)O[C@@H](CO)C(C)=C=Cc1ccccc1
InChIInChI=1S/C14H16O3/c1-11(14(10-15)17-12(2)16)8-9-13-6-4-3-5-7-13/h3-7,9,14-15H,10H2,1-2H3/t8?,14-/m0/s1
InChIKeyCRCRJMLZWOQMPB-OMXDBJJSSA-N
XLogP2.17
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-3-methyl-4-phenylbut-3-en-2-yl] acetate
CID 57372595
[(3E,5E)-1-hydroxy-6-phenylhexa-3,5-dien-2-yl] acetate
CID 135015279
(1-oxo-1-phenylhex-4-en-2-yl) acetate
CID 70447043
[(Z)-3-chloro-4-phenylbut-3-en-2-yl] acetate
CID 10823055
[(2R,3R,4R,5R)-2,5-diacetyloxy-4-benzoyloxy-1,6-dihydroxyhexan-3-yl] benzoate
CID 102154537
methyl 2-ethyl-4-phenylbuta-2,3-dienoate
CID 132532448
ethane;(3-oxo-1-phenylbutan-2-yl) acetate
CID 143592709
5-phenylpenta-3,4-dienyl acetate
CID 166437890
2-methylprop-2-enoic acid;pentane-1,2,3,4,5-pentol;2-phenylethenone
CID 175086984
[(E,3R)-5-oxo-1-phenylpent-1-en-3-yl] acetate
CID 54768294
2-acetyloxy-5-phenylpentanethioic S-acid
CID 19046783
ethyl (2R)-2-methyl-5-phenyl-3-trimethylsilylpenta-3,4-dienoate
CID 164685697

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-hydroxy-3-methyl-5-phenylpenta-3,4-dien-2-yl] acetate?
The IUPAC name of [(2R)-1-hydroxy-3-methyl-5-phenylpenta-3,4-dien-2-yl] acetate (CID 101414734) is [(2R)-1-hydroxy-3-methyl-5-phenylpenta-3,4-dien-2-yl] acetate.
What is the SMILES notation for [(2R)-1-hydroxy-3-methyl-5-phenylpenta-3,4-dien-2-yl] acetate?
The canonical SMILES for [(2R)-1-hydroxy-3-methyl-5-phenylpenta-3,4-dien-2-yl] acetate is CC(=O)O[C@@H](CO)C(C)=C=Cc1ccccc1.
What is the InChIKey of [(2R)-1-hydroxy-3-methyl-5-phenylpenta-3,4-dien-2-yl] acetate?
The InChIKey is CRCRJMLZWOQMPB-OMXDBJJSSA-N. The full InChI is InChI=1S/C14H16O3/c1-11(14(10-15)17-12(2)16)8-9-13-6-4-3-5-7-13/h3-7,9,14-15H,10H2,1-2H3/t8?,14-/m0/s1.
What are the key properties of [(2R)-1-hydroxy-3-methyl-5-phenylpenta-3,4-dien-2-yl] acetate?
[(2R)-1-hydroxy-3-methyl-5-phenylpenta-3,4-dien-2-yl] acetate has a molecular weight of 232.28 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-hydroxy-3-methyl-5-phenylpenta-3,4-dien-2-yl] acetate is sourced from PubChem (CID 101414734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).