[4-(1-formyloxyprop-2-enyl)phenyl] formate

C11H10O4 — CID 22894823

IUPAC[4-(1-formyloxyprop-2-enyl)phenyl] formate
SMILESC=CC(OC=O)c1ccc(OC=O)cc1
InChIInChI=1S/C11H10O4/c1-2-11(15-8-13)9-3-5-10(6-4-9)14-7-12/h2-8,11H,1H2
InChIKeyLTOPMBKTEGCWOW-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.62
Rot. Bonds6

About [4-(1-formyloxyprop-2-enyl)phenyl] formate

[4-(1-formyloxyprop-2-enyl)phenyl] formate (PubChem CID 22894823) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is [4-(1-formyloxyprop-2-enyl)phenyl] formate.

Molecular Properties

Compound Name[4-(1-formyloxyprop-2-enyl)phenyl] formate
PubChem CID22894823
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name[4-(1-formyloxyprop-2-enyl)phenyl] formate
SMILESC=CC(OC=O)c1ccc(OC=O)cc1
InChIInChI=1S/C11H10O4/c1-2-11(15-8-13)9-3-5-10(6-4-9)14-7-12/h2-8,11H,1H2
InChIKeyLTOPMBKTEGCWOW-UHFFFAOYSA-N
XLogP1.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(1-formyloxyprop-2-enyl)phenyl] formate?
The IUPAC name of [4-(1-formyloxyprop-2-enyl)phenyl] formate (CID 22894823) is [4-(1-formyloxyprop-2-enyl)phenyl] formate.
What is the SMILES notation for [4-(1-formyloxyprop-2-enyl)phenyl] formate?
The canonical SMILES for [4-(1-formyloxyprop-2-enyl)phenyl] formate is C=CC(OC=O)c1ccc(OC=O)cc1.
What is the InChIKey of [4-(1-formyloxyprop-2-enyl)phenyl] formate?
The InChIKey is LTOPMBKTEGCWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c1-2-11(15-8-13)9-3-5-10(6-4-9)14-7-12/h2-8,11H,1H2.
What are the key properties of [4-(1-formyloxyprop-2-enyl)phenyl] formate?
[4-(1-formyloxyprop-2-enyl)phenyl] formate has a molecular weight of 206.20 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-formyloxyprop-2-enyl)phenyl] formate is sourced from PubChem (CID 22894823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).