3-phenylprop-2-enyl formate

C10H10O2 — CID 7712

IUPAC3-phenylprop-2-enyl formate
SMILESO=COCC=Cc1ccccc1
InChIInChI=1S/C10H10O2/c11-9-12-8-4-7-10-5-2-1-3-6-10/h1-7,9H,8H2
InChIKeyLBHJXKYRYCUGPD-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.87
Rot. Bonds4

About 3-phenylprop-2-enyl formate

3-phenylprop-2-enyl formate (PubChem CID 7712) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 3-phenylprop-2-enyl formate.

Molecular Properties

Compound Name3-phenylprop-2-enyl formate
PubChem CID7712
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name3-phenylprop-2-enyl formate
SMILESO=COCC=Cc1ccccc1
InChIInChI=1S/C10H10O2/c11-9-12-8-4-7-10-5-2-1-3-6-10/h1-7,9H,8H2
InChIKeyLBHJXKYRYCUGPD-UHFFFAOYSA-N
XLogP1.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-phenylprop-2-enyl formate?
The IUPAC name of 3-phenylprop-2-enyl formate (CID 7712) is 3-phenylprop-2-enyl formate.
What is the SMILES notation for 3-phenylprop-2-enyl formate?
The canonical SMILES for 3-phenylprop-2-enyl formate is O=COCC=Cc1ccccc1.
What is the InChIKey of 3-phenylprop-2-enyl formate?
The InChIKey is LBHJXKYRYCUGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c11-9-12-8-4-7-10-5-2-1-3-6-10/h1-7,9H,8H2.
What are the key properties of 3-phenylprop-2-enyl formate?
3-phenylprop-2-enyl formate has a molecular weight of 162.19 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylprop-2-enyl formate is sourced from PubChem (CID 7712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).