(4-prop-1-en-2-ylphenyl) formate

C10H10O2 — CID 89249503

IUPAC(4-prop-1-en-2-ylphenyl) formate
SMILESC=C(C)c1ccc(OC=O)cc1
InChIInChI=1S/C10H10O2/c1-8(2)9-3-5-10(6-4-9)12-7-11/h3-7H,1H2,2H3
InChIKeyNVEWKPUADWSHRV-UHFFFAOYSA-N
MW162.19 g/mol
LogP2.25
Rot. Bonds3

About (4-prop-1-en-2-ylphenyl) formate

(4-prop-1-en-2-ylphenyl) formate (PubChem CID 89249503) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is (4-prop-1-en-2-ylphenyl) formate.

Molecular Properties

Compound Name(4-prop-1-en-2-ylphenyl) formate
PubChem CID89249503
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name(4-prop-1-en-2-ylphenyl) formate
SMILESC=C(C)c1ccc(OC=O)cc1
InChIInChI=1S/C10H10O2/c1-8(2)9-3-5-10(6-4-9)12-7-11/h3-7H,1H2,2H3
InChIKeyNVEWKPUADWSHRV-UHFFFAOYSA-N
XLogP2.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-prop-1-en-2-ylphenyl) formate?
The IUPAC name of (4-prop-1-en-2-ylphenyl) formate (CID 89249503) is (4-prop-1-en-2-ylphenyl) formate.
What is the SMILES notation for (4-prop-1-en-2-ylphenyl) formate?
The canonical SMILES for (4-prop-1-en-2-ylphenyl) formate is C=C(C)c1ccc(OC=O)cc1.
What is the InChIKey of (4-prop-1-en-2-ylphenyl) formate?
The InChIKey is NVEWKPUADWSHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-8(2)9-3-5-10(6-4-9)12-7-11/h3-7H,1H2,2H3.
What are the key properties of (4-prop-1-en-2-ylphenyl) formate?
(4-prop-1-en-2-ylphenyl) formate has a molecular weight of 162.19 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-prop-1-en-2-ylphenyl) formate is sourced from PubChem (CID 89249503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).