2-phenylethyl acetate

C10H12O2 — CID 7654

IUPAC2-phenylethyl acetate
SMILESCC(=O)OCCc1ccccc1
InChIInChI=1S/C10H12O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKeyMDHYEMXUFSJLGV-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.79
Rot. Bonds3

About 2-phenylethyl acetate

2-phenylethyl acetate (PubChem CID 7654) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2-phenylethyl acetate.

Molecular Properties

Compound Name2-phenylethyl acetate
PubChem CID7654
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name2-phenylethyl acetate
SMILESCC(=O)OCCc1ccccc1
InChIInChI=1S/C10H12O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKeyMDHYEMXUFSJLGV-UHFFFAOYSA-N
XLogP1.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

acetic acid;2-phenylethyl acetate
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2-(4-butylphenyl)ethyl acetate
CID 91655434
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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 2-phenylethyl acetate?
The IUPAC name of 2-phenylethyl acetate (CID 7654) is 2-phenylethyl acetate.
What is the SMILES notation for 2-phenylethyl acetate?
The canonical SMILES for 2-phenylethyl acetate is CC(=O)OCCc1ccccc1.
What is the InChIKey of 2-phenylethyl acetate?
The InChIKey is MDHYEMXUFSJLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3.
What are the key properties of 2-phenylethyl acetate?
2-phenylethyl acetate has a molecular weight of 164.20 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl acetate is sourced from PubChem (CID 7654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).