[2-(4-fluorophenyl)-6-propan-2-ylphenyl] formate

C16H15FO2 — CID 19004388

IUPAC[2-(4-fluorophenyl)-6-propan-2-ylphenyl] formate
SMILESCC(C)c1cccc(-c2ccc(F)cc2)c1OC=O
InChIInChI=1S/C16H15FO2/c1-11(2)14-4-3-5-15(16(14)19-10-18)12-6-8-13(17)9-7-12/h3-11H,1-2H3
InChIKeyVGTFTPFHXIFAOR-UHFFFAOYSA-N
MW258.29 g/mol
LogP4.15
Rot. Bonds4

About [2-(4-fluorophenyl)-6-propan-2-ylphenyl] formate

[2-(4-fluorophenyl)-6-propan-2-ylphenyl] formate (PubChem CID 19004388) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-6-propan-2-ylphenyl] formate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-6-propan-2-ylphenyl] formate
PubChem CID19004388
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Name[2-(4-fluorophenyl)-6-propan-2-ylphenyl] formate
SMILESCC(C)c1cccc(-c2ccc(F)cc2)c1OC=O
InChIInChI=1S/C16H15FO2/c1-11(2)14-4-3-5-15(16(14)19-10-18)12-6-8-13(17)9-7-12/h3-11H,1-2H3
InChIKeyVGTFTPFHXIFAOR-UHFFFAOYSA-N
XLogP4.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 54.15
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 [2-(4-fluorophenyl)-6-propan-2-ylphenyl] formate?
The IUPAC name of [2-(4-fluorophenyl)-6-propan-2-ylphenyl] formate (CID 19004388) is [2-(4-fluorophenyl)-6-propan-2-ylphenyl] formate.
What is the SMILES notation for [2-(4-fluorophenyl)-6-propan-2-ylphenyl] formate?
The canonical SMILES for [2-(4-fluorophenyl)-6-propan-2-ylphenyl] formate is CC(C)c1cccc(-c2ccc(F)cc2)c1OC=O.
What is the InChIKey of [2-(4-fluorophenyl)-6-propan-2-ylphenyl] formate?
The InChIKey is VGTFTPFHXIFAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2/c1-11(2)14-4-3-5-15(16(14)19-10-18)12-6-8-13(17)9-7-12/h3-11H,1-2H3.
What are the key properties of [2-(4-fluorophenyl)-6-propan-2-ylphenyl] formate?
[2-(4-fluorophenyl)-6-propan-2-ylphenyl] formate has a molecular weight of 258.29 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-6-propan-2-ylphenyl] formate is sourced from PubChem (CID 19004388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).