[(4-fluorophenyl)-phenylmethyl] acetate

C15H13FO2 — CID 141408644

IUPAC[(4-fluorophenyl)-phenylmethyl] acetate
SMILESCC(=O)OC(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C15H13FO2/c1-11(17)18-15(12-5-3-2-4-6-12)13-7-9-14(16)10-8-13/h2-10,15H,1H3
InChIKeyIOVGJKCWQZTRCK-UHFFFAOYSA-N
MW244.26 g/mol
LogP3.48
Rot. Bonds3

About [(4-fluorophenyl)-phenylmethyl] acetate

[(4-fluorophenyl)-phenylmethyl] acetate (PubChem CID 141408644) has the molecular formula C15H13FO2 and a molecular weight of 244.26 g/mol. Its IUPAC name is [(4-fluorophenyl)-phenylmethyl] acetate.

Molecular Properties

Compound Name[(4-fluorophenyl)-phenylmethyl] acetate
PubChem CID141408644
Molecular FormulaC15H13FO2
Molecular Weight244.26 g/mol
Exact Mass244.09
IUPAC Name[(4-fluorophenyl)-phenylmethyl] acetate
SMILESCC(=O)OC(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C15H13FO2/c1-11(17)18-15(12-5-3-2-4-6-12)13-7-9-14(16)10-8-13/h2-10,15H,1H3
InChIKeyIOVGJKCWQZTRCK-UHFFFAOYSA-N
XLogP3.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzyl acetate
CID 8785
Benzyl Cinnamate
CID 5273469
Benzyl phenylacetate
CID 60999
Benzyl butyrate
CID 7650
1-Phenylethyl propionate
CID 8432
Benzyl isobutyrate
CID 7646
Benzyl propionate
CID 31219
1-Phenylethyl Acetate
CID 62341
alpha-Methylbenzyl formate
CID 346286
Benzyl crotonate, (E)-
CID 5356259
Benzyl methacrylate
CID 17236
O-Methylbenzyl acetate
CID 87085

Frequently Asked Questions

What is the IUPAC name of [(4-fluorophenyl)-phenylmethyl] acetate?
The IUPAC name of [(4-fluorophenyl)-phenylmethyl] acetate (CID 141408644) is [(4-fluorophenyl)-phenylmethyl] acetate.
What is the SMILES notation for [(4-fluorophenyl)-phenylmethyl] acetate?
The canonical SMILES for [(4-fluorophenyl)-phenylmethyl] acetate is CC(=O)OC(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of [(4-fluorophenyl)-phenylmethyl] acetate?
The InChIKey is IOVGJKCWQZTRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO2/c1-11(17)18-15(12-5-3-2-4-6-12)13-7-9-14(16)10-8-13/h2-10,15H,1H3.
What are the key properties of [(4-fluorophenyl)-phenylmethyl] acetate?
[(4-fluorophenyl)-phenylmethyl] acetate has a molecular weight of 244.26 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-fluorophenyl)-phenylmethyl] acetate is sourced from PubChem (CID 141408644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).