phenyl prop-2-enyl carbonate

C10H10O3 — CID 11412694

IUPACphenyl prop-2-enyl carbonate
SMILESC=CCOC(=O)Oc1ccccc1
InChIInChI=1S/C10H10O3/c1-2-8-12-10(11)13-9-6-4-3-5-7-9/h2-7H,1,8H2
InChIKeyORUWSEKEVGOAQR-UHFFFAOYSA-N
MW178.19 g/mol
LogP2.39
Rot. Bonds3

About phenyl prop-2-enyl carbonate

phenyl prop-2-enyl carbonate (PubChem CID 11412694) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is phenyl prop-2-enyl carbonate.

Molecular Properties

Compound Namephenyl prop-2-enyl carbonate
PubChem CID11412694
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Namephenyl prop-2-enyl carbonate
SMILESC=CCOC(=O)Oc1ccccc1
InChIInChI=1S/C10H10O3/c1-2-8-12-10(11)13-9-6-4-3-5-7-9/h2-7H,1,8H2
InChIKeyORUWSEKEVGOAQR-UHFFFAOYSA-N
XLogP2.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenyl prop-2-enyl carbonate?
The IUPAC name of phenyl prop-2-enyl carbonate (CID 11412694) is phenyl prop-2-enyl carbonate.
What is the SMILES notation for phenyl prop-2-enyl carbonate?
The canonical SMILES for phenyl prop-2-enyl carbonate is C=CCOC(=O)Oc1ccccc1.
What is the InChIKey of phenyl prop-2-enyl carbonate?
The InChIKey is ORUWSEKEVGOAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c1-2-8-12-10(11)13-9-6-4-3-5-7-9/h2-7H,1,8H2.
What are the key properties of phenyl prop-2-enyl carbonate?
phenyl prop-2-enyl carbonate has a molecular weight of 178.19 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl prop-2-enyl carbonate is sourced from PubChem (CID 11412694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).