[(Z)-2-phenylethenyl] acetate

C10H10O2 — CID 5380647

IUPAC[(Z)-2-phenylethenyl] acetate
SMILESCC(=O)O/C=C\c1ccccc1
InChIInChI=1S/C10H10O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-8H,1H3/b8-7-
InChIKeyFMFHUEMLVAIBFI-FPLPWBNLSA-N
MW162.19 g/mol
LogP2.22
Rot. Bonds2

About [(Z)-2-phenylethenyl] acetate

[(Z)-2-phenylethenyl] acetate (PubChem CID 5380647) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is [(Z)-2-phenylethenyl] acetate.

Molecular Properties

Compound Name[(Z)-2-phenylethenyl] acetate
PubChem CID5380647
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name[(Z)-2-phenylethenyl] acetate
SMILESCC(=O)O/C=C\c1ccccc1
InChIInChI=1S/C10H10O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-8H,1H3/b8-7-
InChIKeyFMFHUEMLVAIBFI-FPLPWBNLSA-N
XLogP2.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-2-phenylethenyl] acetate?
The IUPAC name of [(Z)-2-phenylethenyl] acetate (CID 5380647) is [(Z)-2-phenylethenyl] acetate.
What is the SMILES notation for [(Z)-2-phenylethenyl] acetate?
The canonical SMILES for [(Z)-2-phenylethenyl] acetate is CC(=O)O/C=C\c1ccccc1.
What is the InChIKey of [(Z)-2-phenylethenyl] acetate?
The InChIKey is FMFHUEMLVAIBFI-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H10O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-8H,1H3/b8-7-.
What are the key properties of [(Z)-2-phenylethenyl] acetate?
[(Z)-2-phenylethenyl] acetate has a molecular weight of 162.19 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-phenylethenyl] acetate is sourced from PubChem (CID 5380647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).