[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl] acetate

C17H17FO2 — CID 70521640

IUPAC[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl] acetate
SMILESCC(=O)Oc1c(C)cc(C)cc1-c1ccc(F)c(C)c1
InChIInChI=1S/C17H17FO2/c1-10-7-12(3)17(20-13(4)19)15(8-10)14-5-6-16(18)11(2)9-14/h5-9H,1-4H3
InChIKeyOCGOOHZEDOTGAD-UHFFFAOYSA-N
MW272.32 g/mol
LogP4.34
Rot. Bonds2

About [2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl] acetate

[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl] acetate (PubChem CID 70521640) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is [2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl] acetate.

Molecular Properties

Compound Name[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl] acetate
PubChem CID70521640
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Name[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl] acetate
SMILESCC(=O)Oc1c(C)cc(C)cc1-c1ccc(F)c(C)c1
InChIInChI=1S/C17H17FO2/c1-10-7-12(3)17(20-13(4)19)15(8-10)14-5-6-16(18)11(2)9-14/h5-9H,1-4H3
InChIKeyOCGOOHZEDOTGAD-UHFFFAOYSA-N
XLogP4.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl] 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

1-[2-(4-fluoro-3-methylphenyl)phenyl]ethanone
CID 54912273
(4-fluoro-3-methylphenyl) 2,4,6-trimethylbenzoate
CID 118592858
2-acetyloxy-3,5-dimethylbenzoic acid
CID 50883231
(E)-3-[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]prop-1-en-1-ol
CID 70518405
(2,3,6-trifluorophenyl) acetate
CID 23297688
2-[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]ethenyl-(2-hydroxy-4-methoxy-4-oxobutyl)phosphinic acid
CID 54336084
(2,3-difluoro-5,6-dimethylphenyl) acetate
CID 174355739
2-(4-fluoro-3-methylphenyl)benzaldehyde
CID 61025610
methyl 4-[2-[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]ethylsulfanyl]-3-hydroxybutanoate
CID 70517793
[(2S)-3-carboxy-2-hydroxypropyl]-[3-[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]prop-2-ynoxy]-oxophosphanium
CID 67853144
1-[2-chloro-4-(4-fluoro-3-methylphenyl)phenyl]ethanone
CID 82769801
2-acetamidoethyl (3R,5S)-7-[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]-3,5-dihydroxyhept-6-enoate
CID 57233076

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl] acetate?
The IUPAC name of [2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl] acetate (CID 70521640) is [2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl] acetate.
What is the SMILES notation for [2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl] acetate?
The canonical SMILES for [2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl] acetate is CC(=O)Oc1c(C)cc(C)cc1-c1ccc(F)c(C)c1.
What is the InChIKey of [2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl] acetate?
The InChIKey is OCGOOHZEDOTGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2/c1-10-7-12(3)17(20-13(4)19)15(8-10)14-5-6-16(18)11(2)9-14/h5-9H,1-4H3.
What are the key properties of [2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl] acetate?
[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl] acetate has a molecular weight of 272.32 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl] acetate is sourced from PubChem (CID 70521640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).