(4-fluoro-3-methyl-2-phenylmethoxyphenyl) acetate

C16H15FO3 — CID 122531326

IUPAC(4-fluoro-3-methyl-2-phenylmethoxyphenyl) acetate
SMILESCC(=O)Oc1ccc(F)c(C)c1OCc1ccccc1
InChIInChI=1S/C16H15FO3/c1-11-14(17)8-9-15(20-12(2)18)16(11)19-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3
InChIKeyQYZXVJHQQDQHMS-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.64
Rot. Bonds4

About (4-fluoro-3-methyl-2-phenylmethoxyphenyl) acetate

(4-fluoro-3-methyl-2-phenylmethoxyphenyl) acetate (PubChem CID 122531326) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is (4-fluoro-3-methyl-2-phenylmethoxyphenyl) acetate.

Molecular Properties

Compound Name(4-fluoro-3-methyl-2-phenylmethoxyphenyl) acetate
PubChem CID122531326
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name(4-fluoro-3-methyl-2-phenylmethoxyphenyl) acetate
SMILESCC(=O)Oc1ccc(F)c(C)c1OCc1ccccc1
InChIInChI=1S/C16H15FO3/c1-11-14(17)8-9-15(20-12(2)18)16(11)19-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3
InChIKeyQYZXVJHQQDQHMS-UHFFFAOYSA-N
XLogP3.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4-fluoro-3-methyl-2-phenylmethoxyphenyl) 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

(3-fluoro-2-phenylmethoxyphenyl) acetate
CID 10491566
(3-methyl-4-phenylmethoxyphenyl) acetate
CID 129245175
[2,4-bis(phenylmethoxy)phenyl] acetate
CID 57281184
(2-methyl-6-phenylmethoxyphenyl) acetate
CID 67719682
4-methoxy-2-methyl-3-phenylmethoxybenzoic acid
CID 141015234
2-acetyloxy-5-phenylmethoxybenzoic acid
CID 71396804
1-(5-bromo-3-fluoro-2-methyl-6-phenylmethoxyphenyl)ethanone
CID 91197149
3-fluoro-4-methyl-5-phenylmethoxybenzoic acid
CID 67217575
2-(3-fluoro-2-methyl-4-phenylmethoxyphenyl)acetic acid
CID 166161146
(4-formyl-2-phenylmethoxyphenyl) acetate
CID 71357562
2-bromo-1-[2-methyl-3,4-bis(phenylmethoxy)phenyl]ethanone
CID 87906872
3,4-difluoro-2-phenylmethoxybenzoic acid
CID 151244602

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methyl-2-phenylmethoxyphenyl) acetate?
The IUPAC name of (4-fluoro-3-methyl-2-phenylmethoxyphenyl) acetate (CID 122531326) is (4-fluoro-3-methyl-2-phenylmethoxyphenyl) acetate.
What is the SMILES notation for (4-fluoro-3-methyl-2-phenylmethoxyphenyl) acetate?
The canonical SMILES for (4-fluoro-3-methyl-2-phenylmethoxyphenyl) acetate is CC(=O)Oc1ccc(F)c(C)c1OCc1ccccc1.
What is the InChIKey of (4-fluoro-3-methyl-2-phenylmethoxyphenyl) acetate?
The InChIKey is QYZXVJHQQDQHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-11-14(17)8-9-15(20-12(2)18)16(11)19-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3.
What are the key properties of (4-fluoro-3-methyl-2-phenylmethoxyphenyl) acetate?
(4-fluoro-3-methyl-2-phenylmethoxyphenyl) acetate has a molecular weight of 274.29 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methyl-2-phenylmethoxyphenyl) acetate is sourced from PubChem (CID 122531326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).