phenyl 2-(3-fluorophenyl)acetate

C14H11FO2 — CID 121272908

IUPACphenyl 2-(3-fluorophenyl)acetate
SMILESO=C(Cc1cccc(F)c1)Oc1ccccc1
InChIInChI=1S/C14H11FO2/c15-12-6-4-5-11(9-12)10-14(16)17-13-7-2-1-3-8-13/h1-9H,10H2
InChIKeyDEKKXPJLNZGDBD-UHFFFAOYSA-N
MW230.24 g/mol
LogP2.97
Rot. Bonds3

About phenyl 2-(3-fluorophenyl)acetate

phenyl 2-(3-fluorophenyl)acetate (PubChem CID 121272908) has the molecular formula C14H11FO2 and a molecular weight of 230.24 g/mol. Its IUPAC name is phenyl 2-(3-fluorophenyl)acetate.

Molecular Properties

Compound Namephenyl 2-(3-fluorophenyl)acetate
PubChem CID121272908
Molecular FormulaC14H11FO2
Molecular Weight230.24 g/mol
Exact Mass230.07
IUPAC Namephenyl 2-(3-fluorophenyl)acetate
SMILESO=C(Cc1cccc(F)c1)Oc1ccccc1
InChIInChI=1S/C14H11FO2/c15-12-6-4-5-11(9-12)10-14(16)17-13-7-2-1-3-8-13/h1-9H,10H2
InChIKeyDEKKXPJLNZGDBD-UHFFFAOYSA-N
XLogP2.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze phenyl 2-(3-fluorophenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenyl 2-phenylacetate;zinc
CID 70522084
fluoro 2-(3-fluorophenyl)acetate
CID 144594413
barium(2+);hydride;phenyl 2-phenylacetate
CID 174636717
(4-fluorophenyl) 2-(3-acetyloxyphenyl)acetate
CID 129162561
phenyl 2-(3-nitrophenyl)acetate
CID 86103388
propyl 2-(3-fluorophenyl)acetate
CID 43389577
phenyl N-ethyl-N-[(3-fluorophenyl)methyl]carbamate
CID 60655409
(3,5-dihydroxyphenyl) 2-[3-[2-(3,5-dihydroxyphenoxy)-2-oxoethyl]phenyl]acetate
CID 67653524
bis(3-fluorophenyl) hexanedioate
CID 91704929
butanoic acid;phenyl 2-phenylacetate
CID 68544995
1-(3-fluorophenyl)-3-hydroxypropan-2-one
CID 70264927
(4-benzamidophenyl) 3-(3-fluorophenyl)propanoate
CID 34465464

Frequently Asked Questions

What is the IUPAC name of phenyl 2-(3-fluorophenyl)acetate?
The IUPAC name of phenyl 2-(3-fluorophenyl)acetate (CID 121272908) is phenyl 2-(3-fluorophenyl)acetate.
What is the SMILES notation for phenyl 2-(3-fluorophenyl)acetate?
The canonical SMILES for phenyl 2-(3-fluorophenyl)acetate is O=C(Cc1cccc(F)c1)Oc1ccccc1.
What is the InChIKey of phenyl 2-(3-fluorophenyl)acetate?
The InChIKey is DEKKXPJLNZGDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO2/c15-12-6-4-5-11(9-12)10-14(16)17-13-7-2-1-3-8-13/h1-9H,10H2.
What are the key properties of phenyl 2-(3-fluorophenyl)acetate?
phenyl 2-(3-fluorophenyl)acetate has a molecular weight of 230.24 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-(3-fluorophenyl)acetate is sourced from PubChem (CID 121272908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).