acetic acid;2-phenylethyl acetate

C14H20O6 — CID 174791962

IUPACacetic acid;2-phenylethyl acetate
SMILESCC(=O)O.CC(=O)O.CC(=O)OCCc1ccccc1
InChIInChI=1S/C10H12O2.2C2H4O2/c1-9(11)12-8-7-10-5-3-2-4-6-10;2*1-2(3)4/h2-6H,7-8H2,1H3;2*1H3,(H,3,4)
InChIKeyAHWWJPXZOMPSIF-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.97
Rot. Bonds3

About acetic acid;2-phenylethyl acetate

acetic acid;2-phenylethyl acetate (PubChem CID 174791962) has the molecular formula C14H20O6 and a molecular weight of 284.31 g/mol. Its IUPAC name is acetic acid;2-phenylethyl acetate.

Molecular Properties

Compound Nameacetic acid;2-phenylethyl acetate
PubChem CID174791962
Molecular FormulaC14H20O6
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Nameacetic acid;2-phenylethyl acetate
SMILESCC(=O)O.CC(=O)O.CC(=O)OCCc1ccccc1
InChIInChI=1S/C10H12O2.2C2H4O2/c1-9(11)12-8-7-10-5-3-2-4-6-10;2*1-2(3)4/h2-6H,7-8H2,1H3;2*1H3,(H,3,4)
InChIKeyAHWWJPXZOMPSIF-UHFFFAOYSA-N
XLogP1.97
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenylethyl acetate
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2-azulen-6-ylethyl acetate
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2-benzyl-3,3,3-trichloropropanoic acid;2-phenylethyl acetate
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[(E)-7-phenylhept-3-enyl] acetate
CID 102243528
(3-oxo-7-phenylheptyl) acetate
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(3-hydroxy-3-methyl-5-phenylpentyl) acetate
CID 14382134
2-(4-butylphenyl)ethyl acetate
CID 91655434
benzyl acetate
CID 8785
2-[3-(2-bromoethyl)phenyl]ethyl acetate
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2-phenylethyl 3,3-difluoro-2-methylprop-2-enoate
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Frequently Asked Questions

What is the IUPAC name of acetic acid;2-phenylethyl acetate?
The IUPAC name of acetic acid;2-phenylethyl acetate (CID 174791962) is acetic acid;2-phenylethyl acetate.
What is the SMILES notation for acetic acid;2-phenylethyl acetate?
The canonical SMILES for acetic acid;2-phenylethyl acetate is CC(=O)O.CC(=O)O.CC(=O)OCCc1ccccc1.
What is the InChIKey of acetic acid;2-phenylethyl acetate?
The InChIKey is AHWWJPXZOMPSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.2C2H4O2/c1-9(11)12-8-7-10-5-3-2-4-6-10;2*1-2(3)4/h2-6H,7-8H2,1H3;2*1H3,(H,3,4).
What are the key properties of acetic acid;2-phenylethyl acetate?
acetic acid;2-phenylethyl acetate has a molecular weight of 284.31 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-phenylethyl acetate is sourced from PubChem (CID 174791962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).