[(Z)-prop-1-enyl] benzoate

C10H10O2 — CID 11412549

IUPAC[(Z)-prop-1-enyl] benzoate
SMILESC/C=C\OC(=O)c1ccccc1
InChIInChI=1S/C10H10O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h2-8H,1H3/b8-2-
InChIKeyIUXQFLRZZUQUPJ-WAPJZHGLSA-N
MW162.19 g/mol
LogP2.38
Rot. Bonds2

About [(Z)-prop-1-enyl] benzoate

[(Z)-prop-1-enyl] benzoate (PubChem CID 11412549) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is [(Z)-prop-1-enyl] benzoate.

Molecular Properties

Compound Name[(Z)-prop-1-enyl] benzoate
PubChem CID11412549
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name[(Z)-prop-1-enyl] benzoate
SMILESC/C=C\OC(=O)c1ccccc1
InChIInChI=1S/C10H10O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h2-8H,1H3/b8-2-
InChIKeyIUXQFLRZZUQUPJ-WAPJZHGLSA-N
XLogP2.38
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 ≤ 52.38
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)-prop-1-enyl] benzoate?
The IUPAC name of [(Z)-prop-1-enyl] benzoate (CID 11412549) is [(Z)-prop-1-enyl] benzoate.
What is the SMILES notation for [(Z)-prop-1-enyl] benzoate?
The canonical SMILES for [(Z)-prop-1-enyl] benzoate is C/C=C\OC(=O)c1ccccc1.
What is the InChIKey of [(Z)-prop-1-enyl] benzoate?
The InChIKey is IUXQFLRZZUQUPJ-WAPJZHGLSA-N. The full InChI is InChI=1S/C10H10O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h2-8H,1H3/b8-2-.
What are the key properties of [(Z)-prop-1-enyl] benzoate?
[(Z)-prop-1-enyl] benzoate has a molecular weight of 162.19 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-prop-1-enyl] benzoate is sourced from PubChem (CID 11412549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).